Cas no 1224724-41-7 (4-(5-Methylpyridin-3-yl)phenylboronic acid)

4-(5-Methylpyridin-3-yl)phenylboronic acid structure
1224724-41-7 structure
Product Name:4-(5-Methylpyridin-3-yl)phenylboronic acid
CAS No:1224724-41-7
MF:C12H12BNO2
MW:213.040183067322
CID:2106621
Update Time:2023-08-03

4-(5-Methylpyridin-3-yl)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(5-methylpyridin-3-yl)phenylboronic acid
    • 4-(5-Methylpyridin-3-yl)phenylboronic acid
    • Inchi: 1S/C12H12BNO2/c1-9-6-11(8-14-7-9)10-2-4-12(5-3-10)13(15)16/h2-8,15-16H,1H3
    • InChI Key: JKGGZXDIOADNCW-UHFFFAOYSA-N
    • SMILES: OB(C1C=CC(=CC=1)C1C=NC=C(C)C=1)O

Computed Properties

  • Exact Mass: 213.096
  • Monoisotopic Mass: 213.096
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 217
  • 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
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