chempirical

3-Hydroxy-2,4,5-trifluorobenzoic acid

C7H3F3O3CAS 116751-24-7192.09 g/mol

Open in Covalent MOL file
FFOHFOOH
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H3F3O3
Molar mass
192.09 g/mol
Exact mass
192.0034 Da
logP
1.51Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
116751-24-7
SMILES
C1=C(C(=C(C(=C1F)F)O)F)C(=O)O
InChIKey
YYAFUGSJSHXYNK-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)

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Names and synonyms

1 names
  • 2,4,5-Trifluoro-3-hydroxybenzoic Acid

Work with 3-Hydroxy-2,4,5-trifluorobenzoic 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

2,3,4,5-Tetrafluorobenzoic acid1201-31-671 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-363 % similar 3-Bromo-2,4,5-trifluorobenzoic acid104222-42-663 % similar 2,4,5-Trifluoro-3-methylbenzoic acid112822-85-263 % similar 3-Amino-2,4,5-trifluorobenzoic acid119385-80-763 % similar 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-558 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-158 % similar 2,4-Dichloro-5-fluoro-3-hydroxybenzoic acid290835-84-657 % similar

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

Elsewhere

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