2-(3-Chloro-5-fluorophenyl)acetic acid

C₈H₆ClFO₂CAS 202001-00-1188.58 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

Hazards

Warning

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation11.4% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

202001-00-1

SMILES

C1=C(C=C(C=C1F)Cl)CC(=O)O

InChIKey

GFLQMGYDUPLXHZ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

3-Chloro-5-fluorophenylacetic acid

Work with 2-(3-Chloro-5-fluorophenyl)acetic 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

3,5-Difluorophenylacetic acid105184-38-174 % similar 3,5-Dichlorobenzeneacetic acid51719-65-474 % similar 3-Fluorophenylacetic acid331-25-963 % similar 3-Chloro-5-(trifluoromethyl)benzeneacetic acid886496-99-762 % similar 3-Fluoro-5-(trifluoromethyl)phenylacetic acid195447-79-159 % similar (3-Chlorophenyl)acetic acid1878-65-558 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-956 % similar (4-Chlorophenyl)acetic acid1878-66-654 % similar

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

Same formula

2-Chloro-4-fluorobenzeneacetic acid177985-32-9 4-Chloro-2-fluorophenylacetic acid194240-75-0 3-Chloro-2-fluorobenzeneacetic acid261762-96-3 2-Fluoro-4-methoxybenzoylchloride321-24-4 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-4 6-Chloro-2-fluoro-3-methylbenzoic acid32890-90-7 2-Chloro-6-fluorobenzeneacetic acid37777-76-7 3-Fluoro-4-methoxybenzoyl chloride3907-15-1

Elsewhere

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