chempirical

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

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

(2-Chlorophenyl)acetic acid2444-36-269 % similar Melilotic acid495-78-362 % similar (βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-656 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-455 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-855 % similar 2,6-Dichlorophenylacetic acid6575-24-253 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-353 % similar 15-(3,4-Dichlorophenyl)pentadecanoic acid116409-73-553 % 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 3-(3-Chlorophenyl)propanoic acid21640-48-2 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-5 1-[3-(Chloromethyl)-4-hydroxyphenyl]ethanone24085-05-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook