2-Chloro-6-fluoro-3-methylphenylacetic acid

C9H8ClFO2CAS 261762-92-9202.61 g/mol

Open in Covalent MOL file
FOOHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H8ClFO2
Molar mass
202.61 g/mol
Exact mass
202.0197 Da
logP
2.41Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
261762-92-9
SMILES
CC1=C(C(=C(C=C1)F)CC(=O)O)Cl
InChIKey
IZLFHWYEGHXIRN-UHFFFAOYSA-N
InChI
InChI=1S/C9H8ClFO2/c1-5-2-3-7(11)6(9(5)10)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)

Weigh it out

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Work with 2-Chloro-6-fluoro-3-methylphenylacetic 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

2,6-Difluorobenzeneacetic acid85068-28-659 % similar 2-Chloro-6-fluoro-3-methylbenzyl alcohol261762-83-859 % similar 2,3,6-Trifluorophenylacetic acid114152-23-756 % similar 2-Chloro-6-fluorobenzeneacetic acid37777-76-756 % similar 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-455 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetic acid179946-32-849 % similar 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-449 % similar 2-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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