4-Chloro-2-fluorophenylacetic acid

C8H6ClFO2CAS 194240-75-0188.58 g/mol

Open in Covalent MOL file
ClFOHO
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
194240-75-0
SMILES
C1=CC(=C(C=C1Cl)F)CC(=O)O
InChIKey
WKAZXGAJEGPUAY-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)

Weigh it out

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

Names and synonyms

1 names
  • (4-Chloro-2-fluorophenyl)acetic acid

Work with 4-Chloro-2-fluorophenylacetic 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-(4-Bromo-2-fluorophenyl)acetic acid114897-92-663 % similar 2-Fluoro-4-methylbenzeneacetic acid518070-28-563 % similar 2-Bromo-4-chlorophenylacetic acid52864-56-963 % similar 2,4,5-Trifluorophenylacetic acid209995-38-060 % similar 2-(2-Bromo-5-chlorophenyl)acetic acid81682-38-459 % similar 2-(2-Fluoro-4-methoxyphenyl)acetic acid883531-28-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-fluorobenzeneacetic acid177985-32-9 2-(3-Chloro-5-fluorophenyl)acetic acid202001-00-1 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

PubChem CAS Common Chemistry NIST WebBook