Basic information
- CAS
62939-53-1- Standard SMILES
N#Cc1cc(Br)ccc1N=NNc1ccc(Br)cc1C#N- InChIKey
ZNZRMFWTIMORTL-UHFFFAOYSA-N- Molecular formula
- C14H7Br2N5
- Average molar mass
- 405.05 g/mol
- Monoisotopic mass
- 402.90682
Names & identifiers
- Preferred name
- 2,2'-[(1E)-Triaz-1-ene-1,3-diyl]bis(5-bromobenzonitrile)
- IUPAC
- 5-bromo-2-[2-(4-bromo-2-cyanophenyl)iminohydrazinyl]benzonitrile
Names & synonyms
62939-53-1NSC268894DTXSID503133192,2'-[(1E)-Triaz-1-ene-1,3-diyl]bis(5-bromobenzonitrile)NSC-268894
Database identifiers
- CAS
62939-53-1- PubChem CID
- 320641
- DTXSID
DTXSID50313319
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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