CAS Registry Number®
82998-57-0
CAS Name
3-Iodo-4-methylbenzoic acid
Molecular Formula
C8H7IO2
Molecular Mass
262.04
Compound Properties
-
Melting Point (1)
209-210 °C
Source(s)
- (1) Moorthy, Jarugu Narasimha; Journal of Organic Chemistry, (2009), 74(16), 6287-6290, CAplus
Other Names and Identifiers
InChI
InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey
InChIKey=LDDHMKANNXWUAK-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC(I)=C(C)C=C1
Canonical SMILES
O=C(O)C1=CC=C(C(I)=C1)C
Other Names for this Substance
- Benzoic acid, 3-iodo-4-methyl-
- 3-Iodo-4-methylbenzoic acid
