2-Chloro-4-fluorobenzeneacetic acid

C8H6ClFO2CAS 177985-32-9188.58 g/mol

Open in Covalent MOL file
OHOFCl
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 8 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
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

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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 o-Chlorophenylacetic acid2444-36-263 % similar 2,5-Difluorobenzeneacetic acid85068-27-562 % similar 2-(Carboxymethyl)-5-fluorobenzoic acid583880-95-962 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-460 % similar 2-(2-Bromo-5-fluorophenyl)acetic acid739336-26-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-fluorophenylacetic acid194240-75-0 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

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