Basic information
- CAS
6017-52-3- Standard SMILES
N#CC(C#N)N=Nc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
IRBKMNDRNPKRID-UHFFFAOYSA-N- Molecular formula
- C9H4ClN5O2
- Average molar mass
- 249.61 g/mol
- Monoisotopic mass
- 249.0053521
Names & identifiers
- Preferred name
- Malononitrile, ((4-chloro-2-nitrophenyl)azo)-
- IUPAC
- 2-[(4-chloro-2-nitrophenyl)diazenyl]propanedinitrile
Names & synonyms
MALONONITRILE, ((4-CHLORO-2-NITROPHENYL)AZO)-6017-52-3((4-Chloro-2-nitrophenyl)azo)malonontrile4-Chlor-2-nitro-phenyl-azo-malonitril [German]4-Chlor-2-nitro-phenyl-azo-malonitril
Database identifiers
- CAS
6017-52-3- PubChem CID
- 22365
Properties
Computed structural properties
- XLogP
- 2.4
- 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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