Cas no 137938-95-5 (2-(Trifluoromethyl)benzoic acid)

2-(Trifluoromethyl)benzoic acid structure
137938-95-5 structure
Product Name:2-(Trifluoromethyl)benzoic acid
CAS No:137938-95-5
MF:C8H5F3O2
MW:190.119313001633
CID:2730390
PubChem ID:9899
Update Time:2025-04-21

2-(Trifluoromethyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • BENZOIC ACID,(TRIFLUOROMETHYL)-
    • F2191-0057
    • 2-(Trifluoromethyl)benzoic acid
    • DB-030751
    • Q27128431
    • NSC-88326
    • o-trifluoromethyl-benzoic acid
    • AKOS000118808
    • EN300-17349
    • o-(trifluoromethyl)benzoic acid
    • MFCD00002476
    • 2-TFMBA
    • Benzoic acid, 2-(trifluoromethyl)-
    • T1302
    • 2-trifluoromethyl benzoic acid
    • NS00043355
    • Enamine_005364
    • NCIOpen2_001264
    • SCHEMBL221518
    • 2-(Trifluoromethyl)benzoic acid, 98%
    • SY002327
    • NSC88326
    • o-(trifluoroformyl)benzoic acid
    • 2-Carboxybenzotrifluoride
    • o-Toluic acid, a,a,a-trifluoro- (6CI,7CI,8CI); 2-(Trifluoromethyl)benzoic acid; NSC 88326; o-(Trifluoromethyl)benzoic acid; a,a,a-Trifluoro-o-toluic acid
    • 2-Trifluoromethylbenzoic acid
    • DTXSID90870537
    • BS-4039
    • JPCUZPKBLYUQRD-UHFFFAOYSA-N
    • 137938-95-5
    • o-CARBOXYBENZOTRIFLUORIDE
    • ortho-trifluoromethylbenzoic acid
    • HMS1409D18
    • O-TOLUIC ACID, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
    • AC-2625
    • Z56922112
    • 2-trifluoromethyl-benzoic acid
    • ortho-trifluormethylbenzoic acid
    • STK946190
    • 2-(Trifluoromethyl)benzoicAcid
    • CS-W015913
    • CHEBI:60694
    • o-Trifluoromethylbenzoic acid
    • 207-093-9
    • 433-97-6
    • NSC 88326
    • 0R1CK7MZUA
    • DTXCID10818254
    • alpha,alpha,alpha-Trifluoro-o-toluic acid
    • .alpha.,.alpha.,.alpha.-Trifluoro-o-toluic acid
    • O-TOLUIC ACID, ALPHA,ALPHA,ALPHA-TRIFLUORO-
    • trifluoromethylbenzoic acid
    • DB-023811
    • AC7509
    • EINECS 207-093-9
    • UNII-0R1CK7MZUA
    • ortho-(trifluoromethyl)benzoic acid
    • 2-(trifluoroformyl)benzoic acid
    • Inchi： 1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
    • InChI Key： FBRJYBGLCHWYOE-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC=CC=1C(=O)O)(F)F

Computed Properties

  • Exact Mass: 190.02416388Da
  • Monoisotopic Mass: 190.02416388Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 200
  • 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: 1.3
  • Topological Polar Surface Area: 37.3?2

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