2-(3,4-Difluorophenyl)-2-hydroxyacetic acid

C₈H₆F₂O₃CAS 132741-29-8188.13 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆F₂O₃
Molar mass: 188.13 g/mol
Exact mass: 188.0285 Da
logP: 1.08Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

132741-29-8

SMILES

C1=CC(=C(C=C1C(C(=O)O)O)F)F

InChIKey

BKHXODARAOCNDJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)

Weigh it out

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

Names and synonyms

1 names

3,4-Difluoromandelic acid

Work with 2-(3,4-Difluorophenyl)-2-hydroxyacetic 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

Benzeneacetic acid, α-hydroxy-, (αR)-(1R,2S)-compd. with 2-(3,4-difluorophenyl)cyclopropanamine (1:1)376608-71-862 % similar 4-Fluoromandelic acid395-33-562 % similar (±)-3,4-Dihydroxymandelic acid14883-87-558 % similar 4-Hydroxymandelic acid1198-84-156 % similar (S)-Mandelic acid17199-29-053 % similar (-)-Mandelic acid611-71-253 % similar Mandelic acid90-64-253 % similar 4-Chloromandelic acid492-86-453 % similar

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

Same formula

2,6-Difluoro-4-methoxybenzoic acid123843-65-2 2,4-Difluoromandelic acid132741-30-1 3,5-Difluoromandelic acid132741-31-2 2,5-Difluoro-α-hydroxybenzeneacetic acid207853-61-0 2,3-Difluoro-4-methoxybenzoic acid329014-60-0 4-(Difluoromethoxy)benzoic acid4837-20-1 3,4-Difluoro-2-methoxybenzoic acid875664-52-1

Elsewhere

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