Basic information
- CAS
25180-38-5- Standard SMILES
Cc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(N)c(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c1N- InChIKey
QUCIBXXBUGRARB-UHFFFAOYSA-N- Molecular formula
- C32H26N8O6S
- Average molar mass
- 650.7 g/mol
- Monoisotopic mass
- 650.16960175
Names & identifiers
- Preferred name
- C.I. Direct Brown 1A
- IUPAC
- 5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Names & synonyms
C.I. Direct Brown 1A25180-38-5DTXSID201023623
Database identifiers
- CAS
25180-38-5- PubChem CID
- 17418
- DTXSID
DTXSID201023623
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 246 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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