Basic information
- CAS
27508-35-6- Standard SMILES
N#CC(C#N)=Cc1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
JRODTAYHOOTVGS-UHFFFAOYSA-N- Molecular formula
- C10H4ClN3O2
- Average molar mass
- 233.61 g/mol
- Monoisotopic mass
- 232.9992041
Names & identifiers
- Preferred name
- Malononitrile, (4-chloro-3-nitrobenzylidene)-
- IUPAC
- 2-[(4-chloro-3-nitrophenyl)methylidene]propanedinitrile
- English name
- (4-Chloro-3-nitrobenzylidene)malononitrile
- Molecular formula
- C10H4ClN3O2
- Molecular weight
- 233.61
Names & synonyms
BRN 1974284MALONONITRILE, (4-CHLORO-3-NITROBENZYLIDENE)-27508-35-64-Chloro-3-nitrobenzylidenemalononitrileDTXSID001819293-09-00-04384 (Beilstein Handbook Reference)RefChem:351868DTXCID90104420(4-Chloro-3-nitrobenzylidene)malononitrile2-[(4-chloro-3-nitrophenyl)methylidene]propanedinitrileSTK047872AKOS000486295
Show more names
Propanedinitrile, 2-[(4-chloro-3-nitrophenyl)methylene]-
ST036504(4-chloro-3-nitrobenzylidene)propanedinitrile[(4-Chloro-3-nitrophenyl)methylidene]propanedinitrile[(4-chloro-3-nitrophenyl)methylene]methane-1,1-dicarbonitrile
Database identifiers
- CAS
27508-35-6- PubChem CID
- 33924
- DTXSID
DTXSID00181929- Nikkaji
- J41.617G
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
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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