3-Chloro-2-fluorobenzeneacetic acid

C₈H₆ClFO₂CAS 261762-96-3188.58 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

261762-96-3

SMILES

O=C(O)Cc1cccc(Cl)c1F

InChIKey

LBGHWXGWKTZILK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzeneacetic acid, 3-chloro-2-fluoro-
3-Chloro-2-fluorophenylacetic acid
2-(3-Chloro-2-fluorophenyl)acetic acid
(2-Fluoro-3-chlorophenyl)acetic acid

Work with 3-Chloro-2-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-Chlorophenyl)acetic acid2444-36-270 % similar 2,3-Difluorobenzeneacetic acid145689-41-469 % similar 2,6-Dichlorophenylacetic acid6575-24-259 % similar 1,2-Benzenediacetic acid7500-53-056 % similar Diclofenac15307-86-556 % similar (2-Fluorophenyl)acetic acid451-82-156 % similar 2,4-Dichlorophenylacetic acid19719-28-955 % similar 4-Chloroindole-3-acetic acid2519-61-154 % similar

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

Same formula

2-Chloro-4-fluorobenzeneacetic acid177985-32-9 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-4 2-Chloro-6-fluorobenzeneacetic acid37777-76-7

Elsewhere

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