CAS Registry Number®
53250-83-2
CAS Name
2-Chloro-4-(methylsulfonyl)benzoic acid
Molecular Formula
C8H7ClO4S
Molecular Mass
234.66
Compound Properties
-
Melting Point (1)
193-195 °C
Source(s)
- (1) Adachi, Hiroyuki; Journal of Pesticide Science (Tokyo, Japan), (2007), 32(2), 112-119, CAplus
Other Names and Identifiers
InChI
InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChIKey
InChIKey=CTTWSFIIFMWHLQ-UHFFFAOYSA-N
SMILES
S(C)(=O)(=O)C1=CC(Cl)=C(C(O)=O)C=C1
Canonical SMILES
O=C(O)C1=CC=C(C=C1Cl)S(=O)(=O)C
Other Names for this Substance
- Benzoic acid, 2-chloro-4-(methylsulfonyl)-
- 2-Chloro-4-(methylsulfonyl)benzoic acid
