Cas no 921595-54-2 (1,2,3-Tris(fluoromethyl)benzene)

1,2,3-Tris(fluoromethyl)benzene structure
921595-54-2 structure
Product Name:1,2,3-Tris(fluoromethyl)benzene
CAS No:921595-54-2
MF:C9H9F3
MW:174.162973165512
CID:754608
PubChem ID:71423774
Update Time:2024-03-01

1,2,3-Tris(fluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,2,3-trifluoromethyl-
    • 1,2,3-tris(fluoromethyl)benzene
    • 1,2,3-Tris(fluoromethyl)benzene
    • Inchi: 1S/C9H9F3/c10-4-7-2-1-3-8(5-11)9(7)6-12/h1-3H,4-6H2
    • InChI Key: VEIDAQXBGNTRAY-UHFFFAOYSA-N
    • SMILES: FCC1C(CF)=CC=CC=1CF

Computed Properties

  • Exact Mass: 174.06563477g/mol
  • Monoisotopic Mass: 174.06563477g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 115
  • 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: 0
  • XLogP3: 2.4
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