3-(2-Chlorophenyl)propionic acid

C9H9ClO2CAS 1643-28-3184.62 g/mol

Open in Covalent MOL file
OOHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
logP
2.36Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
1643-28-3
SMILES
C1=CC=C(C(=C1)CCC(=O)O)Cl
InChIKey
KZMDFTFGWIVSNQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)

Weigh it out

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

Names and synonyms

1 names
  • 3-(2-Chlorophenyl)propanoic acid

Work with 3-(2-Chlorophenyl)propionic 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

o-Chlorophenylacetic acid2444-36-269 % similar 3-(2,4-Dichlorophenyl)propionic acid55144-92-869 % similar 3-(1-Naphthyl)-propionic acid3243-42-363 % similar 3-(2-Bromophenyl)propionic acid15115-58-962 % similar Melilotic acid495-78-362 % similar 3-(2-Fluorophenyl)propionic acid1643-26-160 % similar 3-(2-Methylphenyl)propionic acid22084-89-560 % similar 3-(3,4-Dichlorophenyl)propionic acid25173-68-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 Benzyloxyacetyl chloride19810-31-2 3-(4-Chlorophenyl)propanoic acid2019-34-3 3-(3-Chlorophenyl)propanoic acid21640-48-2 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8

Elsewhere

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