Cas no 1261895-06-0 (4-(4-Fluoro-3-methoxycarbonylphenyl)nicotinic acid)

4-(4-Fluoro-3-methoxycarbonylphenyl)nicotinic acid structure
1261895-06-0 structure
Product Name:4-(4-Fluoro-3-methoxycarbonylphenyl)nicotinic acid
CAS No:1261895-06-0
MF:C14H10FNO4
MW:275.231907367706
CID:2761851
PubChem ID:53229577
Update Time:2025-04-21

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

Names and Identifiers

    • MFCD18323726
    • 4-(4-FLUORO-3-METHOXYCARBONYLPHENYL)NICOTINIC ACID
    • 1261895-06-0
    • 4-(4-Fluoro-3-methoxycarbonylphenyl)nicotinic acid, 95%
    • DTXSID80692720
    • 4-[4-Fluoro-3-(methoxycarbonyl)phenyl]pyridine-3-carboxylic acid
    • 4-(4-Fluoro-3-methoxycarbonylphenyl)nicotinic acid
    • Inchi: 1S/C14H10FNO4/c1-20-14(19)10-6-8(2-3-12(10)15)9-4-5-16-7-11(9)13(17)18/h2-7H,1H3,(H,17,18)
    • InChI Key: VXJLHZZHINFVSC-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1C(=O)OC)C1C=CN=CC=1C(=O)O

Computed Properties

  • Exact Mass: 275.05938596Da
  • Monoisotopic Mass: 275.05938596Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 376
  • 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
  • Topological Polar Surface Area: 76.5?2
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