chempirical

3-Chloro-2-fluorobenzoic acid

C7H4ClFO2CAS 161957-55-7174.56 g/mol

Open in Covalent MOL file
ClFOOH
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
161957-55-7
SMILES
C1=CC(=C(C(=C1)Cl)F)C(=O)O
InChIKey
FCSSYEWURMTUSM-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Work with 3-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

2,3-Difluorobenzoic acid4519-39-566 % similar 3-Bromo-2-fluorobenzoic acid161957-56-864 % similar 2,3-Dichlorobenzoic acid50-45-363 % similar 3-Chlorosalicylic acid1829-32-961 % similar 2-Amino-3-chlorobenzoic acid6388-47-259 % similar 3-Chloro-2-methylbenzoic acid7499-08-359 % similar 2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-658 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid129931-45-958 % 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 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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