Basic information
- CAS
5487-78-5- Standard SMILES
O=C1CCCC/C1=C\Nc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
PIKVKWLLADSDPJ-CMDGGOBGSA-N- Molecular formula
- C13H13ClN2O3
- Average molar mass
- 280.7 g/mol
- Monoisotopic mass
- 280.06147
Names & identifiers
- Preferred name
- (2E)-2-[(4-chloro-2-nitroanilino)methylidene]cyclohexan-1-one
- IUPAC
- (2E)-2-[(4-chloro-2-nitroanilino)methylidene]cyclohexan-1-one
Names & synonyms
(2E)-2-[(4-chloro-2-nitroanilino)methylidene]cyclohexan-1-one5487-78-52-{[(4-chloro-2-nitrophenyl)amino]methylene}cyclohexanoneZINC04996114DTXSID10385936SR-01000210799SR-01000210799-1
Database identifiers
- CAS
5487-78-5- PubChem CID
- 2849005
- DTXSID
DTXSID10385936
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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