3-(2,6-Diamino-3-pyridylazo)-2,4,6-triiodobenzoic acid
Basic information
- CAS
103863-33-8- Standard SMILES
Nc1ccc(N=Nc2c(I)cc(I)c(C(=O)O)c2I)c(N)n1- InChIKey
GHWYVBGIEKNLCB-UHFFFAOYSA-N- Molecular formula
- C12H8I3N5O2
- Average molar mass
- 634.94 g/mol
- Monoisotopic mass
- 634.7812
Names & identifiers
- Preferred name
- 3-(2,6-Diamino-3-pyridylazo)-2,4,6-triiodobenzoic acid
- IUPAC
- 3-[(2,6-diamino-3-pyridinyl)diazenyl]-2,4,6-triiodobenzoic acid
Names & synonyms
BRN 0449300103863-33-83-(2,6-Diamino-3-pyridylazo)-2,4,6-triiodobenzoic acid2,4,6-Triiodo-3-(2,6-diaminopyridylazo)benzoic acidBENZOIC ACID, 3-(2,6-DIAMINO-3-PYRIDYLAZO)-2,4,6-TRIIODO-5-22-14-00712 (Beilstein Handbook Reference)
Database identifiers
- CAS
103863-33-8- PubChem CID
- 59800
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
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