2,4-Dichloro-5-fluoro-3-hydroxybenzoic acid

C₇H₃Cl₂FO₃CAS 290835-84-6225.00 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₃Cl₂FO₃
Molar mass: 225.00 g/mol
Exact mass: 223.9443 Da
logP: 2.54Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

290835-84-6

SMILES

O=C(O)c1cc(F)c(Cl)c(O)c1Cl

InChIKey

OEVPXZDUHKJUSX-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2FO3/c8-4-2(7(12)13)1-3(10)5(9)6(4)11/h1,11H,(H,12,13)

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

Names and synonyms

1 names

Benzoic acid, 2,4-dichloro-5-fluoro-3-hydroxy-

Work with 2,4-Dichloro-5-fluoro-3-hydroxybenzoic 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

2,4-Dichloro-3-cyano-5-fluorobenzoic acid117528-58-260 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-359 % similar 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid106809-14-757 % similar 3-Hydroxy-2,4,5-trifluorobenzoic acid116751-24-757 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-056 % similar 4-Chloro-2,5-difluorobenzoic acid132794-07-154 % similar 2,4,5-Trifluorobenzoic acid446-17-353 % similar 2,6-Dichloro-5-fluoronicotinic acid82671-06-551 % similar

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

Elsewhere

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