3-(3-Chlorophenyl)propanoic acid

C9H9ClO2CAS 21640-48-2184.62 g/mol

Open in Covalent MOL file
OHOCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
Melting point
73–74 °C
logP
2.36Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
21640-48-2
SMILES
O=C(O)CCc1cccc(Cl)c1
InChIKey
CLTDVBQNUHHYCA-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • Benzenepropanoic acid, 3-chloro-
  • Hydrocinnamic acid, m-chloro-
  • 3-Chlorobenzenepropanoic acid
  • 3-Chloro-β-phenylpropionic acid
  • m-Chlorohydrocinnamic acid
  • 3-Chlorohydrocinnamic acid
  • 3-[3-Chlorophenyl]propionic acid

Work with 3-(3-Chlorophenyl)propanoic 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

(3-Chlorophenyl)acetic acid1878-65-570 % similar 3-(3-Aminophenyl)propionic acid1664-54-666 % similar 3-(3-Fluorophenyl)propionic acid458-45-766 % similar 3-(3'-Hydroxyphenyl)propionic acid621-54-566 % similar Phenylpropanoic acid501-52-065 % similar 3-(3-Methylphenyl)propionic acid3751-48-264 % similar 3-(3-Bromophenyl)propionic acid42287-90-164 % similar 3-(3,4-Dichlorophenyl)propionic acid25173-68-661 % 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-(2-Chlorophenyl)propionic acid1643-28-3 Benzyloxyacetyl chloride19810-31-2 3-(4-Chlorophenyl)propanoic acid2019-34-3 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8

Elsewhere

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