2-Chloro-6-fluorobenzeneacetic acid

C₈H₆ClFO₂CAS 37777-76-7188.58 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

37777-76-7

SMILES

O=C(O)Cc1c(F)cccc1Cl

InChIKey

GUAIAAXDEJZRBP-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

3 names

Benzeneacetic acid, 2-chloro-6-fluoro-
2-Chloro-6-fluorophenylacetic acid
2-(2-Chloro-6-fluorophenyl)acetic acid

Work with 2-Chloro-6-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

2,6-Difluorobenzeneacetic acid85068-28-677 % similar 2,6-Dichlorophenylacetic acid6575-24-274 % similar 2,3,6-Trifluorophenylacetic acid114152-23-758 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-956 % similar (2-Chlorophenyl)acetic acid2444-36-256 % similar (2-Fluorophenyl)acetic acid451-82-156 % similar 2,3-Difluorobenzeneacetic acid145689-41-455 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-954 % similar

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

Same formula

2-Chloro-4-fluorobenzeneacetic acid177985-32-9 3-Chloro-2-fluorobenzeneacetic acid261762-96-3 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-4

Elsewhere

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