(2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one
Basic information
- CAS
5492-49-9- Standard SMILES
O=C1CCCC/C1=C\Nc1ccc([N+](=O)[O-])cc1Br- InChIKey
ZAENLSFBPQQRJF-CMDGGOBGSA-N- Molecular formula
- C13H13BrN2O3
- Average molar mass
- 325.16 g/mol
- Monoisotopic mass
- 324.01095
Names & identifiers
- Preferred name
- (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one
- IUPAC
- (2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one
Names & synonyms
5492-49-9(2E)-2-[(2-bromo-4-nitroanilino)methylidene]cyclohexan-1-one2-{[(2-bromo-4-nitrophenyl)amino]methylene}cyclohexanoneZINC04981795DTXSID50385950CCG-9535BIM-0022572.P001SR-01000210958SR-01000210958-1
Database identifiers
- CAS
5492-49-9- PubChem CID
- 2849263
- DTXSID
DTXSID50385950
Properties
Computed structural properties
- XLogP
- 3.2
- 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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