chempirical

4-Chloro-2-fluorophenylacetic acid

C8H6ClFO2CAS 194240-75-0188.58 g/mol

Open in Covalent MOL file
ClFOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H6ClFO2
Molar mass
188.58 g/mol
Exact mass
188.0040 Da
logP
2.11Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
194240-75-0
SMILES
C1=CC(=C(C=C1Cl)F)CC(=O)O
InChIKey
WKAZXGAJEGPUAY-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)

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Names and synonyms

1 names
  • (4-Chloro-2-fluorophenyl)acetic acid

Work with 4-Chloro-2-fluorophenylacetic 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

2,4-Dichlorophenylacetic acid19719-28-967 % similar 2,4-Difluorophenylacetic acid81228-09-367 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-663 % similar 2-Fluoro-4-methylbenzeneacetic acid518070-28-563 % similar 2-Bromo-4-chlorobenzeneacetic acid52864-56-963 % similar (2,4,5-Trifluorophenyl)acetic acid209995-38-060 % similar (2-Fluorophenyl)acetic acid451-82-158 % similar (4-Chlorophenyl)acetic acid1878-66-657 % similar

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

Same formula

2-Chloro-4-fluorobenzeneacetic acid177985-32-9 2-(3-Chloro-5-fluorophenyl)acetic acid202001-00-1 3-Chloro-2-fluorobenzeneacetic acid261762-96-3 2-Fluoro-4-methoxybenzoylchloride321-24-4 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-4 6-Chloro-2-fluoro-3-methylbenzoic acid32890-90-7 2-Chloro-6-fluorobenzeneacetic acid37777-76-7 3-Fluoro-4-methoxybenzoyl chloride3907-15-1

Elsewhere

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