Basic information
- CAS
1185263-71-1- Standard SMILES
Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4c(N)c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c45)c(S(=O)(=O)O)c3)n2)c(N)c1- InChIKey
BXBYOFCQEZTGMY-UHFFFAOYSA-N- Molecular formula
- C26H22ClN9O10S3
- Average molar mass
- 752.2 g/mol
- Monoisotopic mass
- 751.0340291
Names & identifiers
- Preferred name
- 3-Amino-4-[2-[4-[[4-[(2-amino-4-methylphenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 3-amino-4-[[4-[[4-(2-amino-4-methylanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
BXBYOFCQEZTGMY-UHFFFAOYSA-NDTXSID8011002171185263-71-13-Amino-4-[2-[4-[[4-[(2-amino-4-methylphenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
Database identifiers
- CAS
1185263-71-1- PubChem CID
- 165366390
- DTXSID
DTXSID801100217
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 348 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…