3-((4-Acetamidophenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonic acid
Basic information
- CAS
25317-23-1- Standard SMILES
CC(=O)Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc3c2O)cc1- InChIKey
BCHLQGHKTNGLNI-UHFFFAOYSA-N- Molecular formula
- C18H15N3O8S2
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.03005679
Names & identifiers
- Preferred name
- 3-((4-Acetamidophenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
DTXSID308599823-((4-Acetamidophenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonic acid25317-23-1
Database identifiers
- CAS
25317-23-1- PubChem CID
- 4123598
- DTXSID
DTXSID30859982
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 888
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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