Basic information
- CAS
202139-77-3- Standard SMILES
Nc1ccc(N=Nc2ccccc2)cc1S(=O)(=O)O- InChIKey
JPRDKNOOVOVBIQ-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.05211239
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2-amino-5-(2-phenyldiazenyl)-
- IUPAC
- 2-amino-5-phenyldiazenylbenzenesulfonic acid
Names & synonyms
Benzenesulfonic acid, 2-amino-5-(2-phenyldiazenyl)-SCHEMBL2622737SCHEMBL13578938DTXSID001038985202139-77-3
Database identifiers
- CAS
202139-77-3- PubChem CID
- 5010899
- DTXSID
DTXSID001038985
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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