Basic information
- CAS
6017-51-2- Standard SMILES
N#CC(C#N)N=Nc1ccc([N+](=O)[O-])c(Cl)c1- InChIKey
FSFHZPMXZVQJJS-UHFFFAOYSA-N- Molecular formula
- C9H4ClN5O2
- Average molar mass
- 249.61 g/mol
- Monoisotopic mass
- 249.0053521
Names & identifiers
- Preferred name
- ((3-Chloro-4-nitrophenyl)azo)malononitrile
- IUPAC
- 2-[(3-chloro-4-nitrophenyl)diazenyl]propanedinitrile
Names & synonyms
((3-Chloro-4-nitrophenyl)azo)malononitrile6017-51-22-[(3-chloro-4-nitrophenyl)diazenyl]propanedinitrileF 22333-Chlor-4-nitro-phenyl-azo-malonitril [German]MALONONITRILE, ((3-CHLORO-4-NITROPHENYL)AZO)-3-Chlor-4-nitro-phenyl-azo-malonitril
Database identifiers
- CAS
6017-51-2- PubChem CID
- 22364
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
- 17
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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