2-Chloro-3-fluorobenzoic acid

C₇H₄ClFO₂CAS 102940-86-3174.56 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄ClFO₂
Molar mass: 174.56 g/mol
Exact mass: 173.9884 Da
logP: 2.18Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed10% of notifiers
H315 Causes skin irritation90% of notifiers
H319 Causes serious eye irritation90% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 10 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

102940-86-3

SMILES

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

InChIKey

WJYAYXKXZNITAZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)

Weigh it out

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

Work with 2-Chloro-3-fluorobenzoic 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-Fluorobenzoic acid445-29-467 % similar 3-Fluorophthalic acid1583-67-166 % similar 2,3-Difluorobenzoic acid4519-39-566 % similar 2,3-Dichlorobenzoic acid50-45-363 % similar 2-Bromo-3-fluorobenzoic acid132715-69-662 % similar 3-Fluoro-2-methylbenzoic acid699-90-162 % similar 3-Bromo-2-chlorobenzoic acid56961-27-461 % similar 2,6-Difluorobenzoic acid385-00-258 % similar

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

Same formula

3-Chloro-2-fluorobenzoic acid161957-55-7 2-Chloro-5-fluorobenzoic acid2252-50-8 2-Chloro-4-fluorobenzoic acid2252-51-9 4-Fluorophenyl chloroformate38377-38-7 5-Chloro-2-fluorobenzoic acid394-30-9 3-Chloro-4-fluorobenzoic acid403-16-7 4-Chloro-3-fluorobenzoic acid403-17-8 2-Chloro-6-fluorobenzoic acid434-75-3

Elsewhere

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