Cas no 1261917-65-0 (4-(3-Fluoro-2-methylphenyl)nicotinic acid)

4-(3-Fluoro-2-methylphenyl)nicotinic acid structure
1261917-65-0 structure
Product Name:4-(3-Fluoro-2-methylphenyl)nicotinic acid
CAS No:1261917-65-0
MF:C13H10FNO2
MW:231.222406864166
CID:2763348
PubChem ID:53229219
Update Time:2025-04-21

4-(3-Fluoro-2-methylphenyl)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 1261917-65-0
    • DTXSID70692476
    • MFCD18323385
    • 4-(3-Fluoro-2-methylphenyl)nicotinic acid, 95%
    • 4-(3-FLUORO-2-METHYLPHENYL)NICOTINIC ACID
    • 4-(3-Fluoro-2-methylphenyl)nicotinic acid
    • Inchi: 1S/C13H10FNO2/c1-8-9(3-2-4-12(8)14)10-5-6-15-7-11(10)13(16)17/h2-7H,1H3,(H,16,17)
    • InChI Key: HVNHUSKJFZBRJN-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1C)C1C=CN=CC=1C(=O)O

Computed Properties

  • Exact Mass: 231.06955672Da
  • Monoisotopic Mass: 231.06955672Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 285
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 50.2?2
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