chempirical

5-Chloro-2-fluorobenzoic acid

C7H4ClFO2CAS 394-30-9174.56 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
168 °C
logP
2.18Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
394-30-9
SMILES
O=C(O)c1cc(Cl)ccc1F
InChIKey
WGAVMKXCDMQVNF-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names
  • Benzoic acid, 5-chloro-2-fluoro-
  • 2-Fluoro-5-chlorobenzoic acid

Work with 5-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 2,5-Dichlorobenzoic acid50-79-366 % similar 2,5-Difluorobenzoic acid2991-28-864 % similar 5-Chlorosalicylic acid321-14-262 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-662 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-162 % similar 2-Fluoro-5-iodobenzoic acid124700-41-060 % similar 5-Bromo-2-fluorobenzoic acid146328-85-060 % similar

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

Same formula

2-Chloro-3-fluorobenzoic acid102940-86-3 2-Chloro-5-fluorobenzoic acid2252-50-8 2-Chloro-4-fluorobenzoic acid2252-51-9 4-Fluorophenyl chloroformate38377-38-7 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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