Cas no 1370040-76-8 ((6-Chloroquinolin-3-yl)boronic acid)

(6-Chloroquinolin-3-yl)boronic acid structure
1370040-76-8 structure
Product Name:(6-Chloroquinolin-3-yl)boronic acid
CAS No:1370040-76-8
MF:C9H7BClNO2
MW:207.4214
CID:4741295
Update Time:2020-09-09

(6-Chloroquinolin-3-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, B-(6-chloro-3-quinolinyl)-
    • (6-Chloroquinolin-3-yl)boronic acid
    • Inchi: 1S/C9H7BClNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5,13-14H
    • InChI Key: AVCGRUKWNYBZGS-UHFFFAOYSA-N
    • SMILES: ClC1C([H])=C([H])C2=C(C=1[H])C([H])=C(B(O[H])O[H])C([H])=N2

Computed Properties

  • Exact Mass: 207.025836g/mol
  • Monoisotopic Mass: 207.025836g/mol
  • 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
  • Molecular Weight: 207.42g/mol

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