Benzisoxazolones

Description:

Aromatic compounds containing a benzene ring fused to an isoxazolone moiety.

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  1. 5-Nitrobenzo[d]isoxazol-3-ol
    CAS: 36238-80-9 PubChem CID: 12591252 Formula: C7H4N2O4 Molecular Weight: 180.12
    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)
  2. 5-Fluorobenzo[d]isoxazol-3(2H)-one
    CAS: 99822-23-8 PubChem CID: 11240597 Formula: C7H4FNO2 Molecular Weight: 153.11
    Out of Stock Item #: F725745
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    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)
  3. 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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    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
  4. 6-chloro-1,2-benzoxazol-3-ol
    CAS: 61977-29-5 EC Number: 687-918-0 PubChem CID: 2781852 Formula: C7H4NO2Cl Molecular Weight: 169.56
    In Stock Item #: C635996
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    Technical Identifiers
    IUPAC Name
    6-chloro-1,2-benzoxazol-3-one
    SMILES
    C1=CC2=C(C=C1Cl)ONC2=O
    InChIKey
    SJAPSPJRTQCDNO-UHFFFAOYSA-N
    InChI
    1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
    Synonyms
    CBIO | 6-chlorobenzo[d]isoxazol-3-ol | D-AAO Inhibitor II | 6-Chloro-1,2-benzisoxazol-3(2H)-one | D-Amino Acid Oxidas...
  5. 1,2-Benzisoxazol-3(2H)-one
    CAS: 21725-69-9 Formula: C7H5NO2 Molecular Weight: 135.12
    In Stock Item #: B138497
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    Technical Identifiers
    IUPAC Name
    1,2-benzoxazol-3-one
    SMILES
    C1=CC=C2C(=C1)C(=O)NO2
    InChIKey
    QLDQYRDCPNBPII-UHFFFAOYSA-N
    InChI
    1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
    Synonyms
    Acetic acid, 2-amino-2-oxo-, ethyl ester | 3-hydroxy benzisoxazole | 1,2-Benzisoxazol-3-ol | benzisoxazolone | A3882 ...
  6. 6-Methylbenzo[d]isoxazol-3(2H)-one
    CAS: 66571-26-4 Formula: C8H7NO2 Molecular Weight: 149.15
    In Stock Item #: M194482
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    Technical Identifiers
    IUPAC Name
    6-methyl-1,2-benzoxazol-3-one
    SMILES
    CC1=CC2=C(C=C1)C(=O)NO2
    InChIKey
    TZUHTZMWRNXWLN-UHFFFAOYSA-N
    InChI
    1S/C8H7NO2/c1-5-2-3-6-7(4-5)11-9-8(6)10/h2-4H,1H3,(H,9,10)
    Synonyms
    DS-16704 | EN300-318811 | 6-methyl-1,2-benzoxazol-3-one | BDBM23175 | 6-Methyl-benzo[d]isoxazol-3-ol | 6-Methylbenzo[...
  7. 6-Fluorobenzo[d]isoxazol-3(2H)-one
    CAS: 99822-24-9 Formula: C7H4FNO2 Molecular Weight: 153.11
    Out of Stock Item #: F196179
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    Technical Identifiers
    IUPAC Name
    6-fluoro-1,2-benzoxazol-3-one
    SMILES
    C1=CC2=C(C=C1F)ONC2=O
    InChIKey
    IKEBFZVFBZYVLM-UHFFFAOYSA-N
    InChI
    1S/C7H4FNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
    Synonyms
    BDBM23173 | AKOS016002740 | SCHEMBL8116280 | 3-hydroxy-6-fluoro-1,2-benzisoxazole | Benzo[d]isoxazol-3-ol Derivative,...
  8. 6-Bromobenzo[d]isoxazol-3(2H)-one
    CAS: 65685-51-0 Formula: C7H4BrNO2 Molecular Weight: 214.02
    Out of Stock Item #: B194430
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    Technical Identifiers
    IUPAC Name
    6-bromo-1,2-benzoxazol-3-one
    SMILES
    C1=CC2=C(C=C1Br)ONC2=O
    InChIKey
    ZXDOSRLQEYIVJC-UHFFFAOYSA-N
    InChI
    1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
    Synonyms
    SY112425 | 6-bromo-1,2-benzoxazol-3-one | SCHEMBL3526289 | DTXSID20459435 | 6-Bromobenzo[d]isoxazol-3(2H)-one | 6-Bro...
  9. 5-Bromobenzo[d]isoxazol-3(2H)-one
    CAS: 65685-50-9 Formula: C7H4BrNO2 Molecular Weight: 214.02
    Out of Stock Item #: B194429
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    Technical Identifiers
    IUPAC Name
    5-bromo-1,2-benzoxazol-3-one
    SMILES
    C1=CC2=C(C=C1Br)C(=O)NO2
    InChIKey
    XLPXBJYNYXPQAO-UHFFFAOYSA-N
    InChI
    1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)
    Synonyms
    5-Bromobenzo[d]isoxazol-3(2H)-one|65685-50-9|5-bromo-1,2-benzoxazol-3-one|1,2-Benzisoxazol-3(2H)-one, 5-bromo-|5-brom...
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