Benzenesulfonic acid, 4-(4-aminophenoxy)-
Basic information
- CAS
116516-02-0- Standard SMILES
Nc1ccc(Oc2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
WUATXTZXBBEMCN-UHFFFAOYSA-N- Molecular formula
- C12H11NO4S
- Average molar mass
- 265.29 g/mol
- Monoisotopic mass
- 265.04087901
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-(4-aminophenoxy)-
- IUPAC
- 4-(4-aminophenoxy)benzenesulfonic acid
Names & synonyms
116516-02-0Benzenesulfonic acid, 4-(4-aminophenoxy)-SCHEMBL23581821DTXSID503297784-(4-Aminophenoxy)benzene-1-sulfonic acid
Database identifiers
- CAS
116516-02-0- PubChem CID
- 423764
- DTXSID
DTXSID50329778
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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