C1=CC(=CC=C1C(=O)O)C(F)(F)F
CAS: 455-24-3
Name: 4-(trifluoromethyl)benzoic acid
SMILES: C1=CC(=CC=C1C(=O)O)C(F)(F)F

Molecular Processing

Molecular formula
C8H5F3O2
Molecular weight
190.12
Exact mass
190.0242
XLogP
2.4
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
38.4

Supplementary Information

InChIKey: SWKPKONEIZGROQ-UHFFFAOYSA-N
Synonyme
4-(Trifluoromethyl)benzoic acid455-24-34-TRIFLUOROMETHYLBENZOIC ACIDp-Trifluoromethylbenzoic acidBenzoic acid, 4-(trifluoromethyl)-4-trifluoromethyl benzoic acidKA05X8S21ZNSC-88327DTXSID0060018CHEBI:60696Para-(trifluoromethyl)benzoic acidRefChem:5171354-TFMBADTXCID4040426207-242-8alpha,alpha,alpha-Trifluoro-p-toluic acidP-CARBOXYBENZOTRIFLUORIDEMFCD00002562p-trifluoroformylbenzoic acid4-Trifluoromethyl-benzoic acid.alpha.,.alpha.,.alpha.-trifluoro-p-toluic acid4-(Trifluoromethyl)benzoicAcid3AEEINECS 207-242-8NSC 88327TFMBAEnamine_005626NCIOpen2_001327UNII-KA05X8S21ZSCHEMBL78879
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