Malononitrile, (5-chloro-2-nitrobenzylidene)-
Basic information
- CAS
37053-95-5- Standard SMILES
N#CC(C#N)=Cc1cc(Cl)ccc1[N+](=O)[O-]- InChIKey
MUIMNNXACJFJHJ-UHFFFAOYSA-N- Molecular formula
- C10H4ClN3O2
- Average molar mass
- 233.61 g/mol
- Monoisotopic mass
- 232.9992041
Names & identifiers
- Preferred name
- Malononitrile, (5-chloro-2-nitrobenzylidene)-
- IUPAC
- 2-[(5-chloro-2-nitrophenyl)methylidene]propanedinitrile
- English name
- [(5-Chloro-2-nitrophenyl)methylene]malononitrile
- Molecular formula
- C10H4ClN3O2
- Molecular weight
- 233.61
Names & synonyms
2-Nitro-5-chlorobenzylidenemalononitrileMALONONITRILE, (5-CHLORO-2-NITROBENZYLIDENE)-37053-95-52-(5-Chloro-2-nitrobenzylidene)malononitrileDTXSID80190559Propanedinitrile, ((5-chloro-2-nitrophenyl)methylene)-RefChem:351873DTXCID70113050[(5-Chloro-2-nitrophenyl)methylene]malononitrile[(5-Chloro-2-nitrophenyl)methylidene]propanedinitrilePropanedinitrile, 2-[(5-chloro-2-nitrophenyl)methylene]-
Database identifiers
- CAS
37053-95-5- PubChem CID
- 37613
- DTXSID
DTXSID80190559- Nikkaji
- J41.618E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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