Basic information
- CAS
1173925-11-5- Standard SMILES
O=C(O)c1cc(N=Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(N=Nc5cc(C(=O)O)cc(C(=O)O)c5)cc4)n3)cc2)cc(C(=O)O)c1- InChIKey
WMGXPBRCGYNOCV-UHFFFAOYSA-N- Molecular formula
- C31H20ClN9O8
- Average molar mass
- 682 g/mol
- Monoisotopic mass
- 681.1123363
Names & identifiers
- Preferred name
- 5,5a(2)-[(6-Chloro-1,3,5-triazine-2,4-diyl)bis(imino-4,1-phenylene-2,1-diazenediyl)]bis[1,3-benzenedicarboxylic acid]
- IUPAC
- 5-[[4-[[4-chloro-6-[4-[(3,5-dicarboxyphenyl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]benzene-1,3-dicarboxylic acid
Names & synonyms
DTXSID3011068101173925-11-55,5a(2)-[(6-Chloro-1,3,5-triazine-2,4-diyl)bis(imino-4,1-phenylene-2,1-diazenediyl)]bis[1,3-benzenedicarboxylic acid]
Database identifiers
- CAS
1173925-11-5- PubChem CID
- 165367261
- DTXSID
DTXSID301106810
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 261 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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