4-Chloro-2-fluorobenzoic acid

C7H4ClFO2CAS 446-30-0174.56 g/mol

Open in Covalent MOL file
OHOClF
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4ClFO2
Molar mass
174.56 g/mol
Exact mass
173.9884 Da
Melting point
205 °C
logP
2.18Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
446-30-0
SMILES
O=C(O)c1ccc(Cl)cc1F
InChIKey
ZLPXBWMVZANJJQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

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Names and synonyms

3 names
  • Benzoic acid, 4-chloro-2-fluoro-
  • NSC 190363
  • 2-Fluoro-4-chlorobenzoic acid

Work with 4-Chloro-2-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

4-Chlorophthalic acid89-20-368 % similar 2,4-Difluorobenzoic acid1583-58-064 % similar 2,4-Dichlorobenzoic acid50-84-064 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-862 % similar 4-Chlorosalicylic acid5106-98-962 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-362 % similar 2-Amino-4-chlorobenzoic acid89-77-062 % similar 2,5-Dichlorobenzoic acid50-79-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-fluorobenzoic acid102940-86-3 3-Chloro-2-fluorobenzoic acid161957-55-7 2-Chloro-5-fluorobenzoic acid2252-50-8 2-Chloro-4-fluorobenzoic acid2252-51-9 3-Chloro-5-fluorobenzoic acid25026-64-6 4-Fluorophenyl chloroformate38377-38-7 5-Chloro-2-fluorobenzoic acid394-30-9 3-Chloro-4-fluorobenzoic acid403-16-7

Elsewhere

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