4-Amino-3-[2-(4-aminophenyl)diazenyl]-6-[2-(2,5-dichlorophenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
Basic information
- CAS
79067-27-9- Standard SMILES
Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4cc(Cl)ccc4Cl)c(O)c3c2N)cc1- InChIKey
UNQWIPPEBVOAIO-UHFFFAOYSA-N- Molecular formula
- C22H16Cl2N6O7S2
- Average molar mass
- 611.4 g/mol
- Monoisotopic mass
- 609.9898946
Names & identifiers
- Preferred name
- 4-Amino-3-[2-(4-aminophenyl)diazenyl]-6-[2-(2,5-dichlorophenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 4-amino-3-[(4-aminophenyl)diazenyl]-6-[(2,5-dichlorophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
DTXSID2011072774-Amino-3-[2-(4-aminophenyl)diazenyl]-6-[2-(2,5-dichlorophenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid79067-27-9
Database identifiers
- CAS
79067-27-9- PubChem CID
- 165367302
- DTXSID
DTXSID201107277- EC Number
- 616-662-4
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 247 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,130
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Compound notes
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