2-Chloro-4-fluorobenzeneacetic acid

C₈H₆ClFO₂CAS 177985-32-9188.58 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆ClFO₂
Molar mass: 188.58 g/mol
Exact mass: 188.0040 Da
logP: 2.11Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

177985-32-9

SMILES

O=C(O)Cc1ccc(F)cc1Cl

InChIKey

CDUSPKFHAVQVRQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)

Weigh it out

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

Names and synonyms

3 names

Benzeneacetic acid, 2-chloro-4-fluoro-
2-Chloro-4-fluorophenylacetic acid
2-(2-Chloro-4-fluorophenyl)acetic acid

Work with 2-Chloro-4-fluorobenzeneacetic 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-Dichlorophenylacetic acid19719-28-967 % similar 2,4-Difluorophenylacetic acid81228-09-367 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-263 % similar (2-Chlorophenyl)acetic acid2444-36-263 % similar 2,5-Difluorobenzeneacetic acid85068-27-562 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-460 % similar 3-Fluorophenylacetic acid331-25-957 % similar 2,3-Dichlorophenylacetic acid10236-60-955 % similar

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

Same formula

3-Chloro-2-fluorobenzeneacetic acid261762-96-3 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-4 2-Chloro-6-fluorobenzeneacetic acid37777-76-7

Elsewhere

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