Cas no 1000931-46-3 (4-(Trifluoromethyl)pyrimidine-2-carboxylic acid)

4-(Trifluoromethyl)pyrimidine-2-carboxylic acid structure
1000931-46-3 structure
Product Name:4-(Trifluoromethyl)pyrimidine-2-carboxylic acid
CAS No:1000931-46-3
MF:C6H3F3N2O2
MW:192.095431566238
MDL:MFCD09802250
CID:1037231
PubChem ID:25324146
Update Time:2024-11-04

4-(Trifluoromethyl)pyrimidine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(Trifluoromethyl)pyrimidine-2-carboxylic acid
    • 4-(trifluoromethyl)-2-Pyrimidinecarboxylic acid
    • 4-Trifluoromethyl-pyrimidine-2-carboxylic acid
    • AS-48335
    • FT-0758336
    • 2-Pyrimidinecarboxylic acid, 4-(trifluoromethyl)-
    • SB56613
    • EN300-53768
    • F30411
    • J-513938
    • MFCD09802250
    • 1000931-46-3
    • 4-(trifluoromethyl)pyrimidine-2-carboxylicacid
    • DTXSID90649588
    • AKOS015950580
    • CS-0216658
    • SCHEMBL1578122
    • Z360053736
    • DB-014599
    • MDL： MFCD09802250
    • Inchi： 1S/C6H3F3N2O2/c7-6(8,9)3-1-2-10-4(11-3)5(12)13/h1-2H,(H,12,13)
    • InChI Key： RYIFBKCEVLTAOZ-UHFFFAOYSA-N
    • SMILES： FC(C1C=CN=C(C(=O)O)N=1)(F)F

Computed Properties

  • Exact Mass: 192.01500
  • Monoisotopic Mass: 192.01466183g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 207
  • 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: 1
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • PSA: 63.08000
  • LogP: 1.19360

4-(Trifluoromethyl)pyrimidine-2-carboxylic acid Pricemore >>

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