2-Chloro-3-methylbenzoic acid
Properties
- Molecular formula
- C8H7ClO2
- Molar mass
- 170.59 g/mol
- Exact mass
- 170.0135 Da
- logP
- 2.35Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed93.2% of notifiers
- H315 Causes skin irritation11.4% of notifiers
- H318 Causes serious eye damage88.6% of notifiers
- H319 Causes serious eye irritation11.4% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
15068-35-6SMILES
CC1=C(C(=CC=C1)C(=O)O)ClInChIKey
LWOKLXMNGXXORN-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Chloro-3-methylbenzoic acid
Similar compounds
o-Toluic acid118-90-167 % similar
2,3-Dimethylbenzoic acid603-79-266 % similar
2-Iodo-3-methylbenzoic acid108078-14-464 % similar
3-Methylsalicylic acid83-40-964 % similar
2,3-Dichlorobenzoic acid50-45-363 % similar
2,2′-Dithiobis(3-methylbenzoic acid)13363-59-262 % similar
2-Fluoro-3-methylbenzoic acid315-31-162 % similar
2-Amino-3-methylbenzoic acid4389-45-162 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.