Basic information
- CAS
5281-84-5- Standard SMILES
N#Cc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1Cl- InChIKey
DQKMNCLZNGAXNX-UHFFFAOYSA-N- Molecular formula
- C14H8ClN3O2
- Average molar mass
- 285.68 g/mol
- Monoisotopic mass
- 285.0305042
Names & identifiers
- Preferred name
- 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile
- IUPAC
- 2-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
- English name
- 2-[(2-chloro-5-nitro-phenyl)methylideneamino]benzonitrile
- Molecular formula
- C53H102O6
- Molecular weight
- 835.37
Names & synonyms
5281-84-52-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrileDTXSID80351729JPRNTWAQXARPTL-UHFFFAOYSA-NSTK047042AKOS000486530ST0365272-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]benzenecarbonitrile2-{(E)-[(2-Chloro-5-nitrophenyl)methylidene]amino}benzonitrile2-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}benzonitrile2-[(2-chloro-5-nitro-phenyl)methylideneamino]benzonitrileOctadecanoic acid, (2S)-2,3-bis[(1-oxohexadecyl)oxy]propyl ester
Database identifiers
- CAS
5281-84-5- PubChem CID
- 708139
- DTXSID
DTXSID80351729
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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