Cas no 174813-00-4 (Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]-)

Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]- structure
174813-00-4 structure
Product Name:Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]-
CAS No:174813-00-4
MF:C12H7F3N2O
MW:252.191992998123
CID:1360906
PubChem ID:15264935
Update Time:2025-04-20

Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]-
    • 174813-00-4
    • AKOS011780337
    • methanone,5-pyrimidinyl[3-(trifluoromethyl)phenyl]-
    • Inchi: 1S/C12H7F3N2O/c13-12(14,15)10-3-1-2-8(4-10)11(18)9-5-16-7-17-6-9/h1-7H
    • InChI Key: SEYMNHFHSNIESN-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(C(C2=CN=CN=C2)=O)C=1)(F)F

Computed Properties

  • Exact Mass: 252.05111
  • Monoisotopic Mass: 252.05104734g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 300
  • 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: 2.4
  • Topological Polar Surface Area: 42.8?2

Experimental Properties

  • PSA: 42.85
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