Cas no 123695-38-5 (3-Chloroisoquinoline-4-carboxylic acid)

3-Chloroisoquinoline-4-carboxylic acid structure
123695-38-5 structure
Product Name:3-Chloroisoquinoline-4-carboxylic acid
CAS No:123695-38-5
MF:C10H6ClNO2
MW:207.613141536713
MDL:MFCD13193418
CID:1027787
PubChem ID:14567323
Update Time:2025-04-20

3-Chloroisoquinoline-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Chloroisoquinoline-4-carboxylic acid
    • 4-Isoquinolinecarboxylic acid,3-chloro
    • QC-9343
    • EN300-3518243
    • 3-Chloro-4-isoquinolinecarboxylic acid
    • 123695-38-5
    • DB-410944
    • 4-Isoquinolinecarboxylic acid, 3-chloro-
    • J-512318
    • 3-Chloroisoquinoline-4-carboxylicacid
    • DTXSID10561718
    • Z1269232034
    • MDL: MFCD13193418
    • Inchi: 1S/C10H6ClNO2/c11-9-8(10(13)14)7-4-2-1-3-6(7)5-12-9/h1-5H,(H,13,14)
    • InChI Key: XVWHFYBDMXNETM-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)O)C2C=CC=CC=2C=N1

Computed Properties

  • Exact Mass: 207.00900
  • Monoisotopic Mass: 207.0087061g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 234
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19000
  • LogP: 2.58640

3-Chloroisoquinoline-4-carboxylic acid Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Chloroisoquinoline-4-carboxylic acid Pricemore >>

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