Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(I)c(C(=O)O)c1- InChIKey
FSBQPXIJIHESSS-UHFFFAOYSA-N- Molecular formula
- C8H7IO4S
- Average molar mass
- 326.11 g/mol
Names & identifiers
- Preferred name
- 2-Iodo-5-methanesulfonyl-benzoic acid
- IUPAC
- 2-iodo-5-methylsulfonylbenzoic acid
Names & synonyms
2-iodo-5-methanesulfonyl-benzoic acidSCHEMBL1815665FSBQPXIJIHESSS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57445281
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 319
Related reactions
43 records
Compound notes
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