2-(4-Chloro-2-methoxy-phenyl)-ethenesulfonic acid
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Basic information
- Standard SMILES
COc1cc(Cl)ccc1C=CS(=O)(=O)O- InChIKey
ACJBOCNAUWWCMN-UHFFFAOYSA-N- Molecular formula
- C9H9ClO4S
- Average molar mass
- 248.68 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-methoxy-phenyl)-ethenesulfonic acid
- IUPAC
- 2-(4-chloro-2-methoxyphenyl)ethenesulfonic acid
Names & synonyms
SCHEMBL3783857ACJBOCNAUWWCMN-UHFFFAOYSA-N2-(4-chloro-2-methoxy-phenyl)-ethenesulfonic acid
Database identifiers
- PubChem CID
- 86632004
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
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Related reactions
1 records
Compound notes
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