(3-Chlorophenyl)acetic acid
Properties
- Molecular formula
- C8H7ClO2
- Molar mass
- 170.59 g/mol
- Exact mass
- 170.0135 Da
- Melting point
- 78–79.5 °C
- logP
- 1.97Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 47 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
1878-65-5SMILES
O=C(O)Cc1cccc(Cl)c1InChIKey
WFPMUFXQDKMVCO-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzeneacetic acid, 3-chloro-
- Acetic acid, (m-chlorophenyl)-
- 3-Chlorobenzeneacetic acid
- (m-Chlorophenyl)acetic acid
- 2-(3-Chlorophenyl)acetic acid
- NSC 87556
- 3-Chlorophenylacetic acid
Work with (3-Chlorophenyl)acetic acid
Similar compounds
1,3-Benzenediacetic acid19806-17-875 % similar
3,5-Dichlorobenzeneacetic acid51719-65-470 % similar
3-(3-Chlorophenyl)propanoic acid21640-48-270 % similar
3-Fluorophenylacetic acid331-25-964 % similar
3'-Hydroxyphenylacetic acid621-37-464 % similar
(3-Aminophenyl)acetic acid14338-36-462 % similar
3-Bromophenylacetic acid1878-67-762 % similar
3-Iodophenylacetic acid1878-69-962 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.