Basic information
- CAS
5713-92-8- Standard SMILES
CNc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
ZAFYLUMZTQWWOU-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3S
- Average molar mass
- 291.33 g/mol
- Monoisotopic mass
- 291.06776246
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-[2-[4-(methylamino)phenyl]diazenyl]-
- IUPAC
- 4-[[4-(methylamino)phenyl]diazenyl]benzenesulfonic acid
Names & synonyms
5713-92-8SCHEMBL18507794Benzenesulfonic acid, 4-[2-[4-(methylamino)phenyl]diazenyl]-DTXSID901041220
Database identifiers
- CAS
5713-92-8- PubChem CID
- 54536632
- DTXSID
DTXSID901041220- Nikkaji
- J2.188.375A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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