Cas no 800401-84-7 (5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid)

5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid structure
800401-84-7 structure
Product Name:5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS No:800401-84-7
MF:C8H5ClN2O2
MW:196.590500593185
MDL:MFCD09878689
CID:712752
PubChem ID:44630705
Update Time:2024-10-27

5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
    • 1H-Pyrrolo[2,3-b]pyridine- 2-carboxylic acid, 5-chloro-
    • 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbo×ylic acid
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-chloro-
    • 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylicacid
    • 5-CHLORO-7-AZAINDOLE-2-CARBOXYLIC ACID
    • PubChem14614
    • YMSGAOPCRLRFMT-UHFFFAOYSA-N
    • FCH875150
    • SC2521
    • VP12407
    • RP04068
    • PB13183
    • EN001376
    • 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (ACI)
    • EN300-1719748
    • MFCD09878689
    • Z1198235615
    • SCHEMBL2106960
    • CS-0002367
    • AKOS006310154
    • 800401-84-7
    • A9943
    • FT-0646568
    • J-517255
    • FF-0745
    • DTXSID40660001
    • AMY24569
    • MDL： MFCD09878689
    • Inchi： 1S/C8H5ClN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)
    • InChI Key： YMSGAOPCRLRFMT-UHFFFAOYSA-N
    • SMILES： O=C(C1NC2C(=CC(=CN=2)Cl)C=1)O

Computed Properties

  • Exact Mass: 196.00400
  • Monoisotopic Mass: 196.004
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • 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
  • Topological Polar Surface Area: 66
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 1.8

Experimental Properties

  • Color/Form: Yellow to Brown Solid
  • Density: 1.6±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 451.1±40.0 °C at 760 mmHg
  • Flash Point: 226.6±27.3 °C
  • Refractive Index: 1.744
  • PSA: 65.98000
  • LogP: 1.91450
  • Vapor Pressure: No data available

5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Security Information

5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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