Basic information
- CAS
6017-45-4- Standard SMILES
N#CC(C#N)N=Nc1cccc([N+](=O)[O-])c1- InChIKey
YUIBFUSUSOYKEL-UHFFFAOYSA-N- Molecular formula
- C9H5N5O2
- Average molar mass
- 215.17 g/mol
- Monoisotopic mass
- 215.04432442
Names & identifiers
- Preferred name
- ((m-Nitrophenyl)azo)malononitrile
- IUPAC
- 2-[(3-nitrophenyl)diazenyl]propanedinitrile
Names & synonyms
((m-Nitrophenyl)azo)malononitrile6017-45-43-Nitro-phenyl-azo-malonitril [German]3-Nitro-phenyl-azo-malonitrilMALONONITRILE, ((m-NITROPHENYL)AZO)-
Database identifiers
- CAS
6017-45-4- PubChem CID
- 22360
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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