Basic information
- CAS
5859-05-2- Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1- InChIKey
RQKNGEZEUZYGQS-UHFFFAOYSA-N- Molecular formula
- C16H11N3O9S2
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 452.99367128
Names & identifiers
- Preferred name
- 3-Hydroxy-4-[2-(4-nitrophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
- IUPAC
- 3-hydroxy-4-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
CHEMBL2008312DTXSID801373042NCI60_0040623-Hydroxy-4-[2-(4-nitrophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
Database identifiers
- CAS
5859-05-2- PubChem CID
- 413196
- DTXSID
DTXSID801373042- ChEMBL
CHEMBL2008312
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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