chempirical

3-Chloro-5-fluorobenzoic acid

C7H4ClFO2CAS 25026-64-6174.56 g/mol

Open in Covalent MOL file
FClOOH
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
25026-64-6
SMILES
C1=C(C=C(C=C1F)Cl)C(=O)O
InChIKey
QFMRANWPGGSNHS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

Weigh it out

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Work with 3-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

3,5-Difluorobenzoic acid455-40-371 % similar 3,5-Dichlorobenzoic acid51-36-571 % similar 3-Bromo-5-fluorobenzoic acid176548-70-261 % similar 3-Bromo-5-chlorobenzoic acid42860-02-661 % similar 3-Chloro-5-hydroxybenzoic Acid53984-36-461 % similar 3-Fluorobenzoic acid455-38-959 % similar 3-Amino-5-chlorobenzoic acid21961-30-859 % similar 3-Fluoro-5-methylbenzoic acid518070-19-459 % 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 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

Elsewhere

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