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Benzisoxazoles

Description:

Aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Benzisoxazoles

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  1. 3-[5-Chloranyl-6-[(1~{r})-1-(6-Methylpyridazin-3-Yl)ethoxy]-1,2-Benzoxazol-3-Yl]propanoic Acid
    3-[5-Chloranyl-6-[(1~{r})-1-(6-Methylpyridazin-3-Yl)ethoxy]-1,2-Benzoxazol-3-Yl]propanoic Acid
    CAS: 1953157-39-5 PubChem CID: 121415048
    ≥99%
    Out of Stock Item #: C1260193
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    Technical Identifiers
    IUPAC Name
    3-[5-chloro-6-[(1R)-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
    SMILES
    CC1=NN=C(C=C1)C(C)OC2=C(C=C3C(=C2)ON=C3CCC(=O)O)Cl
    InChIKey
    YWASLAPMFGBZQP-SNVBAGLBSA-N
    InChI
    1S/C17H16ClN3O4/c1-9-3-4-13(20-19-9)10(2)24-16-8-15-11(7-12(16)18)14(21-25-15)5-6-17(22)23/h3-4,7-8,10H,5-6H2,1-2H3,(H,22,23)/t10-/m1/s1
  2. 5-Nitrobenzo[d]isoxazol-3-ol
    5-Nitrobenzo[d]isoxazol-3-ol
    CAS: 36238-80-9 PubChem CID: 12591252 Formula: C7H4N2O4 Molecular Weight: 180.12
    ≥95%
    Out of Stock Item #: N736235
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    Technical Identifiers
    IUPAC Name
    5-nitro-1,2-benzoxazol-3-one
    SMILES
    C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NO2
    InChIKey
    NPKARQNMFDJQQO-UHFFFAOYSA-N
    InChI
    1S/C7H4N2O4/c10-7-5-3-4(9(11)12)1-2-6(5)13-8-7/h1-3H,(H,8,10)
  3. tert-Butyl (5-aminobenzo[d]isoxazol-3-yl)carbamate
    tert-Butyl (5-aminobenzo[d]isoxazol-3-yl)carbamate
    CAS: 380629-73-2 PubChem CID: 45789880 Formula: C12H15N3O3 Molecular Weight: 249.27
    ≥95%
    Out of Stock Item #: T732604
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    Technical Identifiers
    IUPAC Name
    tert-butyl N-(5-amino-1,2-benzoxazol-3-yl)carbamate
    SMILES
    CC(C)(C)OC(=O)NC1=NOC2=C1C=C(C=C2)N
    InChIKey
    VKHZQNDFOLJRBM-UHFFFAOYSA-N
    InChI
    1S/C12H15N3O3/c1-12(2,3)17-11(16)14-10-8-6-7(13)4-5-9(8)18-15-10/h4-6H,13H2,1-3H3,(H,14,15,16)
  4. Benzo[d]isoxazol-3-ylmethanol
    Benzo[d]isoxazol-3-ylmethanol
    CAS: 181144-26-3 PubChem CID: 53487461 Formula: C8H7NO2 Molecular Weight: 149.15
    ≥97%
    Out of Stock Item #: B733761
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    Technical Identifiers
    IUPAC Name
    1,2-benzoxazol-3-ylmethanol
    SMILES
    C1=CC=C2C(=C1)C(=NO2)CO
    InChIKey
    NZBMDFKAIJJQJR-UHFFFAOYSA-N
    InChI
    1S/C8H7NO2/c10-5-7-6-3-1-2-4-8(6)11-9-7/h1-4,10H,5H2
  5. 7-Bromo-3-chlorobenzo[d]isoxazole
    7-Bromo-3-chlorobenzo[d]isoxazole
    CAS: 1260677-07-3 PubChem CID: 71463615 Formula: C7H3BrClNO Molecular Weight: 232.46
    ≥95%
    Out of Stock Item #: B734931
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    Technical Identifiers
    IUPAC Name
    7-bromo-3-chloro-1,2-benzoxazole
    SMILES
    C1=CC2=C(C(=C1)Br)ON=C2Cl
    InChIKey
    QDDQHYMCNDGVMZ-UHFFFAOYSA-N
    InChI
    1S/C7H3BrClNO/c8-5-3-1-2-4-6(5)11-10-7(4)9/h1-3H
  6. 6-Methoxybenzo[d]isoxazol-3-amine
    6-Methoxybenzo[d]isoxazol-3-amine
    CAS: 157368-82-6 PubChem CID: 10678579 Formula: C8H8N2O2 Molecular Weight: 164.16
    ≥98%
    Out of Stock Item #: M724953
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    Technical Identifiers
    IUPAC Name
    6-methoxy-1,2-benzoxazol-3-amine
    SMILES
    COC1=CC2=C(C=C1)C(=NO2)N
    InChIKey
    UYWCFQVFVCXHCP-UHFFFAOYSA-N
    InChI
    1S/C8H8N2O2/c1-11-5-2-3-6-7(4-5)12-10-8(6)9/h2-4H,1H3,(H2,9,10)
  7. 6-Chloro-1,2-benzoxazol-3-amine
    6-Chloro-1,2-benzoxazol-3-amine
    CAS: 89692-53-5 PubChem CID: 10855900 Formula: C7H5ClN2O Molecular Weight: 168.58
    Solid ≥98%
    In Stock Item #: C725123
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    Technical Identifiers
    IUPAC Name
    6-chloro-1,2-benzoxazol-3-amine
    SMILES
    C1=CC2=C(C=C1Cl)ON=C2N
    InChIKey
    VUMFEESWELAKKV-UHFFFAOYSA-N
    InChI
    1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
    Synonyms
    6-Chloro-benzo[d]isoxazol-3-ylamine
  8. 5-Fluorobenzo[d]isoxazol-3-amine
    5-Fluorobenzo[d]isoxazol-3-amine
    CAS: 868271-13-0 PubChem CID: 42609147 Formula: C7H5FN2O Molecular Weight: 152.13
    ≥95%
    Out of Stock Item #: F731897
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    Technical Identifiers
    IUPAC Name
    5-fluoro-1,2-benzoxazol-3-amine
    SMILES
    C1=CC2=C(C=C1F)C(=NO2)N
    InChIKey
    MBKJAWUGNSKUIU-UHFFFAOYSA-N
    InChI
    1S/C7H5FN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
  9. 5-Fluorobenzo[d]isoxazol-3(2H)-one
    5-Fluorobenzo[d]isoxazol-3(2H)-one
    CAS: 99822-23-8 PubChem CID: 11240597 Formula: C7H4FNO2 Molecular Weight: 153.11
    ≥97%
    Out of Stock Item #: F725745
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    5-fluoro-1,2-benzoxazol-3-one
    SMILES
    C1=CC2=C(C=C1F)C(=O)NO2
    InChIKey
    SZEAMAWNIMHBOE-UHFFFAOYSA-N
    InChI
    1S/C7H4FNO2/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)
  10. 5-(Aminomethyl)benzo[d]isoxazol-3-amine
    5-(Aminomethyl)benzo[d]isoxazol-3-amine
    CAS: 368426-89-5 PubChem CID: 23551884
    ≥95%
    Out of Stock Item #: B731169
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    Technical Identifiers
    IUPAC Name
    5-(aminomethyl)-1,2-benzoxazol-3-amine
    SMILES
    C1=CC2=C(C=C1CN)C(=NO2)N
    InChIKey
    YYWMOSYJDKAWRX-UHFFFAOYSA-N
    InChI
    1S/C8H9N3O/c9-4-5-1-2-7-6(3-5)8(10)11-12-7/h1-3H,4,9H2,(H2,10,11)
  11. 4-Fluorobenzo[d]isoxazol-3(2H)-one - ≥98% CAS No(178747-83-6) by Aladdin Scientific
    4-Fluorobenzo[d]isoxazol-3(2H)-one
    CAS: 178747-83-6 EC Number: 110-317-7 PubChem CID: 11815956 Formula: C7H4FNO2 Molecular Weight: 153.11
    Solid ≥98%
    Out of Stock Item #: F726314
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    4-fluoro-1,2-benzoxazol-3-one
    SMILES
    C1=CC2=C(C(=C1)F)C(=O)NO2
    InChIKey
    LAMXJMFSONZHOP-UHFFFAOYSA-N
    InChI
    1S/C7H4FNO2/c8-4-2-1-3-5-6(4)7(10)9-11-5/h1-3H,(H,9,10)
    Synonyms
    4-Fluoro-1,2-benzisoxazol-3(2H)-one
  12. 3-Methyl-5-nitrobenzo[d]isoxazole
    3-Methyl-5-nitrobenzo[d]isoxazole
    CAS: 63770-48-9 PubChem CID: 12411318
    ≥97%
    Out of Stock Item #: M726796
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    3-methyl-5-nitro-1,2-benzoxazole
    SMILES
    CC1=NOC2=C1C=C(C=C2)[N+](=O)[O-]
    InChIKey
    PQLIRZDJBWDLOU-UHFFFAOYSA-N
    InChI
    1S/C8H6N2O3/c1-5-7-4-6(10(11)12)2-3-8(7)13-9-5/h2-4H,1H3
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