chempirical

2-Hydroxy-5-trifluoromethyl benzoic acid

C8H5F3O3CAS 79427-88-6206.12 g/mol

Open in Covalent MOL file
FFFOOHOH
Alkyl halideCarboxylic acidPhenol

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
79427-88-6
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(=O)O)O
InChIKey
YQDOJQUHDQGQPH-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)

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Names and synonyms

1 names
  • 2-Hydroxy-5-(trifluoromethyl)benzoic Acid

Work with 2-Hydroxy-5-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-Hydroxy-4-(trifluoromethyl)benzoic acid328-90-576 % similar 4-(Trifluoromethyl)phthalic acid835-58-573 % similar 2,5-Bis(trifluoromethyl)benzoic acid42580-42-769 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-767 % similar 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-565 % similar 2-Bromo-5-(trifluoromethyl)benzoic acid1483-56-365 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-765 % similar 2-Iodo-5-(trifluoromethyl)benzoic acid702641-04-165 % 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-(Trifluoromethoxy)benzoic acid1979-29-9 4-Hydroxy-3-(trifluoromethyl)benzoic acid220239-68-9 2-Hydroxy-3-(trifluoromethyl)benzoic acid251300-32-0 4-Hydroxy-2-(trifluoromethyl)benzoic acid320-32-1

Elsewhere

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