2-(4-Chlorobenzenesulfonyl)acetic acid
Properties
- Molecular formula
- C8H7ClO4S
- Molar mass
- 234.65 g/mol
- Exact mass
- 233.9754 Da
- logP
- 1.20Crippen estimate
- Polar surface area
- 71.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 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
3405-89-8SMILES
C1=CC(=CC=C1S(=O)(=O)CC(=O)O)ClInChIKey
IAONCYGNBVHNCT-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO4S/c9-6-1-3-7(4-2-6)14(12,13)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
1 names
- 2-[(4-Chlorophenyl)sulfonyl]acetic acid
Work with 2-(4-Chlorobenzenesulfonyl)acetic acid
Similar compounds
(Phenylsulfonyl)acetic acid3959-23-767 % similar
2-[(4-Methylphenyl)sulfonyl]acetic acid3937-96-066 % similar
1-[(4-Chlorophenyl)sulfonyl]-2-propanone5000-48-661 % similar
1-(4-Chlorobenzenesulfonyl)-3,3-dimethylbutan-2-one207974-06-958 % similar
(4-Chlorophenyl)acetic acid1878-66-651 % similar
3-(4-Chlorophenyl)propanoic acid2019-34-350 % similar
Daltroban79094-20-548 % similar
4-Chlorophenoxyacetic acid122-88-347 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds