2,5-Difluoro-α-hydroxybenzeneacetic acid

C₈H₆F₂O₃CAS 207853-61-0188.13 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

207853-61-0

SMILES

O=C(O)C(O)c1cc(F)ccc1F

InChIKey

PATKDMCCMCSATF-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O3/c9-4-1-2-6(10)5(3-4)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

3 names

Benzeneacetic acid, 2,5-difluoro-α-hydroxy-
2,5-Difluoromandelic acid
2-(2,5-Difluorophenyl)-2-hydroxyacetic acid

Work with 2,5-Difluoro-α-hydroxybenzeneacetic 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

4-Fluoromandelic acid395-33-558 % similar 2-Chloromandelic acid10421-85-948 % similar (-)-2-Chloromandelic acid52950-18-248 % similar (S)-2-Chloromandelic acid52950-19-348 % similar 2,5-Difluorobenzoic acid2991-28-846 % similar (2-Fluorophenyl)glycine2343-27-343 % similar 2,5-Difluorobenzeneacetic acid85068-27-543 % similar 2,4-Difluorobenzoic acid1583-58-043 % similar

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

Same formula

2,6-Difluoro-4-methoxybenzoic acid123843-65-2 2-(3,4-Difluorophenyl)-2-hydroxyacetic acid132741-29-8 2,4-Difluoromandelic acid132741-30-1 3,5-Difluoromandelic acid132741-31-2 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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