Basic information
- CAS
5076-48-2- Standard SMILES
O=[N+]([O-])c1ccccc1N=NNc1ccccc1[N+](=O)[O-]- InChIKey
JUMQSVATBIENEQ-UHFFFAOYSA-N- Molecular formula
- C12H9N5O4
- Average molar mass
- 287.23 g/mol
- Monoisotopic mass
- 287.06545379
Names & identifiers
- Preferred name
- (1e)-1,3-Bis(2-nitrophenyl)triaz-1-ene
- IUPAC
- 2-nitro-N-[(2-nitrophenyl)diazenyl]aniline
Names & synonyms
5076-48-2(1e)-1,3-bis(2-nitrophenyl)triaz-1-eneNSC85649SCHEMBL11291304SCHEMBL11291307DTXSID00292807NSC-85649
Database identifiers
- CAS
5076-48-2- PubChem CID
- 257543
- DTXSID
DTXSID00292807
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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