chempirical

3-Chloro-4-fluorophenylacetic acid

C8H6ClFO2CAS 705-79-3188.58 g/mol

Open in Covalent MOL file
OHOClF
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

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
705-79-3
SMILES
C1=CC(=C(C=C1CC(=O)O)Cl)F
InChIKey
WGODGMOMOMNTRN-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12)

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Names and synonyms

1 names
  • 2-(3-Chloro-4-fluorophenyl)acetic acid

Work with 3-Chloro-4-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-Chloro-3-fluorophenyl)acetic acid883500-51-476 % similar 3,4-Dichlorophenylacetic acid5807-30-773 % similar (3,4-Difluorophenyl)acetic acid658-93-570 % similar 3-Chloro-4-hydroxyphenylacetic acid33697-81-367 % similar 3-Bromo-4-fluorophenylacetic acid194019-11-962 % similar 3-Fluoro-4-hydroxybenzeneacetic acid458-09-359 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-459 % similar 3-Fluorophenylacetic acid331-25-958 % similar

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

Same formula

2-Chloro-4-fluorobenzeneacetic acid177985-32-9 4-Chloro-2-fluorophenylacetic acid194240-75-0 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

Elsewhere

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