chempirical

2-Chloro-5-fluorobenzoic acid

C7H4ClFO2CAS 2252-50-8174.56 g/mol

Open in Covalent MOL file
OHOFCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4ClFO2
Molar mass
174.56 g/mol
Exact mass
173.9884 Da
Melting point
61 °C
logP
2.18Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
2252-50-8
SMILES
O=C(O)c1cc(F)ccc1Cl
InChIKey
MIZKCMSSYVUZKD-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)

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Names and synonyms

2 names
  • Benzoic acid, 2-chloro-5-fluoro-
  • NSC 190631

Work with 2-Chloro-5-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

2,5-Dichlorobenzoic acid50-79-366 % similar 2,5-Difluorobenzoic acid2991-28-864 % similar 5-Fluorosalicylic acid345-16-462 % similar 2-Chloro-5-hydroxybenzoic acid56961-30-962 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 2-Chloro-5-iodobenzoic acid19094-56-560 % similar 5-Bromo-2-chlorobenzoic acid21739-92-460 % similar 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-460 % similar

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

Same formula

2-Chloro-3-fluorobenzoic acid102940-86-3 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 4-Chloro-2-fluorobenzoic acid446-30-0

Elsewhere

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