3-halobenzoic acids and derivatives

Description:

Benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

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  1. 3,5-dichloro-N-((1-((2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl)-4-fluoropiperidin-4-yl)methyl)benzamide
    CAS: 918430-49-6 PubChem CID: 16005493 Formula: C21H29Cl2FN2O2 Molecular Weight: 431.4
    Out of Stock Item #: D1359432
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    IUPAC Name
    3,5-dichloro-N-[[1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]benzamide
    SMILES
    CC1(CC(CCO1)CN2CCC(CC2)(CNC(=O)C3=CC(=CC(=C3)Cl)Cl)F)C
    InChIKey
    DKNDOKIVCXTFHJ-UHFFFAOYSA-N
    InChI
    1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)
  2. Parimifasor
    CAS: 1796641-10-5 Formula: C18H11Cl2F4N5O Molecular Weight: 460.2
    Out of Stock Item #: P1321105
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    IUPAC Name
    3-chloro-N-[N-(3-chloro-5-fluorophenyl)-N'-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]benzamide
    SMILES
    C1=CC(=CC(=C1)Cl)C(=O)NC(=NC2=NNC(=C2)C(F)(F)F)NC3=CC(=CC(=C3)Cl)F
    InChIKey
    GPLAWHGEODGIAW-UHFFFAOYSA-N
    InChI
    1S/C18H11Cl2F4N5O/c19-10-3-1-2-9(4-10)16(30)27-17(25-13-6-11(20)5-12(21)7-13)26-15-8-14(28-29-15)18(22,23)24/h1-8H,(H3,25,26,27,28,29,30)
  3. EBV lytic cycle inducer-1
    CAS: 394668-43-0 Formula: C14H12BrN3O Molecular Weight: 318.17
    Out of Stock Item #: E1240319
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    IUPAC Name
    3-bromo-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
    SMILES
    C/C(=N\NC(=O)C1=CC(=CC=C1)Br)/C2=CC=CC=N2
    InChIKey
    GZJPBATWGXWPLE-LICLKQGHSA-N
    InChI
    1S/C14H12BrN3O/c1-10(13-7-2-3-8-16-13)17-18-14(19)11-5-4-6-12(15)9-11/h2-9H,1H3,(H,18,19)/b17-10+
  4. 6-Benzothiazolecarboxylic acid, 2-aMino-4-fluoro-, Methyl ester
    CAS: 924287-64-9 Formula: C9H7FN2O2S Molecular Weight: 226.2275
    Out of Stock Item #: B769694
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    Technical Identifiers
    SMILES
    COC(=O)C1=CC(=C2C(=C1)SC(=N2)N)F
    InChIKey
    UNJLICBWHHMOFV-UHFFFAOYSA-N
    InChI
    1S/C9H7FN2O2S/c1-14-8(13)4-2-5(10)7-6(3-4)15-9(11)12-7/h2-3H,1H3,(H2,11,12)
  5. 5-Fluoro-2-Nitrobenzoyl chloride
    CAS: 394-02-5 PubChem CID: 15654868 Formula: C7H3ClFNO3 Molecular Weight: 203.55
    Out of Stock Item #: F768543
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    IUPAC Name
    5-fluoro-2-nitrobenzoyl chloride
    SMILES
    C1=CC(=C(C=C1F)C(=O)Cl)[N+](=O)[O-]
    InChIKey
    DHNJQRSDZABGBP-UHFFFAOYSA-N
    InChI
    1S/C7H3ClFNO3/c8-7(11)5-3-4(9)1-2-6(5)10(12)13/h1-3H
  6. 3-Bromo-5-(Trifluoromethoxy)benzoyl chloride
    CAS: 1092461-36-3 PubChem CID: 54772359 Formula: C8H3BrClF3O2 Molecular Weight: 303.46
    Out of Stock Item #: B768697
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    Technical Identifiers
    IUPAC Name
    3-bromo-5-(trifluoromethoxy)benzoyl chloride
    SMILES
    C1=C(C=C(C=C1OC(F)(F)F)Br)C(=O)Cl
    InChIKey
    PRRWHYQCMQADHB-UHFFFAOYSA-N
    InChI
    1S/C8H3BrClF3O2/c9-5-1-4(7(10)14)2-6(3-5)15-8(11,12)13/h1-3H
  7. tert-Butyl 2-(2,5-difluorobenzoyl)hydrazinecarboxylate
    CAS: 1079843-62-1 PubChem CID: 66806144 Formula: C12H14F2N2O3 Molecular Weight: 272.25
    Out of Stock Item #: T734604
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    IUPAC Name
    tert-butyl N-[(2,5-difluorobenzoyl)amino]carbamate
    SMILES
    CC(C)(C)OC(=O)NNC(=O)C1=C(C=CC(=C1)F)F
    InChIKey
    PAPCXRVVAHZZHH-UHFFFAOYSA-N
    InChI
    1S/C12H14F2N2O3/c1-12(2,3)19-11(18)16-15-10(17)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3,(H,15,17)(H,16,18)
  8. Methyl 5-amino-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate
    CAS: 918321-20-7 PubChem CID: 59365496 Formula: C10H10FN3O2 Molecular Weight: 223.21
    Out of Stock Item #: M734430
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    IUPAC Name
    methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate
    SMILES
    CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OC
    InChIKey
    LDEVURKKVDBRLD-UHFFFAOYSA-N
    InChI
    1S/C10H10FN3O2/c1-14-4-13-9-6(14)3-5(10(15)16-2)8(12)7(9)11/h3-4H,12H2,1-2H3
  9. 5-Bromo-2-iodobenzamide
    CAS: 289039-20-9 PubChem CID: 40428781 Formula: C7H5BrINO Molecular Weight: 325.94
    Solid ≥97%
    Out of Stock Item #: B731865
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    Technical Identifiers
    IUPAC Name
    5-bromo-2-iodobenzamide
    SMILES
    C1=CC(=C(C=C1Br)C(=O)N)I
    InChIKey
    PSQDNPRLSXTGEU-UHFFFAOYSA-N
    InChI
    1S/C7H5BrINO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
  10. 5-Chloro-2-methoxybenzoyl chloride
    CAS: 29568-33-0 PubChem CID: 12384176 Formula: C8H6Cl2O2 Molecular Weight: 205.03
    Out of Stock Item #: C726760
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    Technical Identifiers
    IUPAC Name
    5-chloro-2-methoxybenzoyl chloride
    SMILES
    COC1=C(C=C(C=C1)Cl)C(=O)Cl
    InChIKey
    JVLUMHRASWENRU-UHFFFAOYSA-N
    InChI
    1S/C8H6Cl2O2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3
  11. 5-Bromo-2-methoxybenzamide
    CAS: 303111-31-1 PubChem CID: 17094957 Formula: C8H8BrNO2 Molecular Weight: 230.06
    Out of Stock Item #: B728913
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    Technical Identifiers
    IUPAC Name
    5-bromo-2-methoxybenzamide
    SMILES
    COC1=C(C=C(C=C1)Br)C(=O)N
    InChIKey
    VWRKGVNZHGRWSV-UHFFFAOYSA-N
    InChI
    1S/C8H8BrNO2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H2,10,11)
  12. 5-Bromo-2-chlorobenzamide
    CAS: 188774-55-2 PubChem CID: 25239818 Formula: C7H5BrClNO Molecular Weight: 234.48
    Out of Stock Item #: B731523
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    Technical Identifiers
    IUPAC Name
    5-bromo-2-chlorobenzamide
    SMILES
    C1=CC(=C(C=C1Br)C(=O)N)Cl
    InChIKey
    UZELTISECDSPNW-UHFFFAOYSA-N
    InChI
    1S/C7H5BrClNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
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