Cas no 848841-48-5 (1-Chloro-4-isoquinolinyl boronic acid)

1-Chloro-4-isoquinolinyl boronic acid structure
848841-48-5 structure
Product Name:1-Chloro-4-isoquinolinyl boronic acid
CAS No:848841-48-5
MF:C9H7BClNO2
MW:207.421381235123
MDL:MFCD09959721
CID:1035465
PubChem ID:50999269
Update Time:2025-04-20

1-Chloro-4-isoquinolinyl boronic acid Chemical and Physical Properties

Names and Identifiers

    • B-(1-chloro-4-isoquinolinyl)-Boronic acid
    • (1-Chloroisoquinolin-4-yl)boronic acid
    • 1-CHLORO-4-ISOQUINOLINYL BORONIC ACID
    • 1-Chloroisoquinoline-4-boronic acid
    • Boronic acid, (1-chloro-4-isoquinolinyl)-
    • 1-Chloro-4-isoquinolinylboronicacid
    • 3094AC
    • (1-chloro-4-isoquinolyl)boronic acid
    • 1-Chloro-isoquinolin-4-ylboronic acid
    • FCH1396664
    • (1-chloro-4-isoquinolinyl)boronic acid
    • AK119334
    • (1-chloranylisoquinolin-4-yl)boronic acid
    • AX8244750
    • FT
    • 848841-48-5
    • AKOS015950253
    • DS-5581
    • DTXSID00679452
    • A914978
    • (1-Chloroisoquinolin-4-yl)boronicacid
    • FT-0741357
    • EN300-4266727
    • J-504529
    • MFCD09959721
    • 1-CHLOROISOQUINOLIN-4-YLBORONIC ACID
    • DB-083407
    • 1-Chloro-4-isoquinolinyl boronic acid
    • MDL: MFCD09959721
    • Inchi: 1S/C9H7BClNO2/c11-9-7-4-2-1-3-6(7)8(5-12-9)10(13)14/h1-5,13-14H
    • InChI Key: LIQWKDFYRGYBQH-UHFFFAOYSA-N
    • SMILES: ClC1C2C=CC=CC=2C(B(O)O)=CN=1

Computed Properties

  • Exact Mass: 207.02600
  • Monoisotopic Mass: 207.026
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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: 53.4

Experimental Properties

  • Color/Form: Solid
  • Density: 1.4±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 442.348°C at 760 mmHg
  • Flash Point: 221.3±31.5 °C
  • PSA: 53.35000
  • LogP: 0.56800
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

1-Chloro-4-isoquinolinyl boronic acid Security Information

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