(3-Chlorophenyl)(hydroxy)methanesulfonic acid
Basic information
- CAS
736884-52-9- Standard SMILES
O=S(=O)(O)C(O)c1cccc(Cl)c1- InChIKey
CBLPROTZBFBCRG-UHFFFAOYSA-N- Molecular formula
- C7H7ClO4S
- Average molar mass
- 222.65 g/mol
- Monoisotopic mass
- 221.9753576
Names & identifiers
- Preferred name
- (3-Chlorophenyl)(hydroxy)methanesulfonic acid
- IUPAC
- (3-chlorophenyl)-hydroxymethanesulfonic acid
Names & synonyms
SCHEMBL14355487DTXSID801254244736884-52-9(3-Chlorophenyl)(hydroxy)methanesulfonic acid3-Chloro-I+/--hydroxybenzenemethanesulfonic acid
Database identifiers
- CAS
736884-52-9- PubChem CID
- 429176
- DTXSID
DTXSID801254244- EC Number
- 616-008-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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