Cas no 1208314-98-0 (B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid)

B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid structure
1208314-98-0 structure
Product Name:B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid
CAS No:1208314-98-0
MF:C6H7BClNO2
MW:171.389280557632
CID:1101862
PubChem ID:129915580
Update Time:2025-04-20

B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid Chemical and Physical Properties

Names and Identifiers

    • B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid
    • 1208314-98-0
    • DB-415688
    • B-(5-Chloro-3-methyl-2-pyridinyl)boronic acid
    • (5-chloro-3-methylpyridin-2-yl)boronic acid
    • Inchi: 1S/C6H7BClNO2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3,10-11H,1H3
    • InChI Key: MPXGJBXBDVPBIN-UHFFFAOYSA-N
    • SMILES: ClC1=CN=C(B(O)O)C(C)=C1

Computed Properties

  • Exact Mass: 171.0258363g/mol
  • Monoisotopic Mass: 171.0258363g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 136
  • 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?2
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