3-Chloro-2-fluorobenzeneacetic acid

C8H6ClFO2CAS 261762-96-3188.58 g/mol

Open in Covalent MOL file
OHOClF
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 6 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
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

o-Chlorophenylacetic acid2444-36-270 % similar 2,3-Difluorobenzeneacetic acid145689-41-469 % similar 2,3-Dichlorophenylacetic acid10236-60-966 % similar 2,6-Dichlorophenylacetic acid6575-24-259 % similar 2-(2,3,4-Trifluorophenyl)acetic acid243666-12-857 % similar 1,2-Benzenediacetic acid7500-53-056 % similar Diclofenac15307-86-556 % similar (2-Fluorophenyl)acetic acid451-82-156 % 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 2-(3-Chloro-5-fluorophenyl)acetic acid202001-00-1 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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