chempirical

2-Hydroxy-4-(trifluoromethyl)benzoic acid

C8H5F3O3CAS 328-90-5206.12 g/mol

Open in Covalent MOL file
OHOFFFHO
Alkyl halideCarboxylic acidPhenol

Properties

Molecular formula
C8H5F3O3
Molar mass
206.12 g/mol
Exact mass
206.0191 Da
Melting point
178 °C
logP
2.11Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
328-90-5
SMILES
O=C(O)c1ccc(C(F)(F)F)cc1O
InChIKey
XMLFPUBZFSJWCN-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 2-hydroxy-4-(trifluoromethyl)-
  • 2,4-Cresotic acid, α,α,α-trifluoro-
  • 4-(Trifluoromethyl)salicylic acid
  • 4-Trifluoromethyl-2-hydroxybenzoic acid
  • p-(Trifluoromethyl)salicylic acid

Work with 2-Hydroxy-4-(trifluoromethyl)benzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-867 % similar 2-Amino-4-(trifluoromethyl)benzoic acid402-13-167 % similar 2-Bromo-4-(trifluoromethyl)benzoic acid328-89-265 % similar 2,5-Bis(trifluoromethyl)benzoic acid42580-42-764 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-762 % similar 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-561 % similar 2-Bromo-5-(trifluoromethyl)benzoic acid1483-56-361 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-761 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Trifluoromethoxy)benzoic acid1014-81-9 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-1 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-5 2-(Trifluoromethoxy)benzoic acid150436-84-3 2-Hydroxy-3-(trifluoromethyl)benzoic acid251300-32-0 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione326-90-9 4-(Trifluoromethoxy)benzoic acid330-12-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook