Cyclohexanone, 2-(2-nitro-1-phenylethyl)-
Basic information
- CAS
4591-64-4- Standard SMILES
O=C1CCCCC1C(C[N+](=O)[O-])c1ccccc1- InChIKey
STOOUUNOLPMRGC-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- Cyclohexanone, 2-(2-nitro-1-phenylethyl)-
- IUPAC
- 2-(2-nitro-1-phenylethyl)cyclohexan-1-one
Names & synonyms
Cyclohexanone, 2-(2-nitro-1-phenylethyl)-4591-64-4DTXSID90408450RefChem:335563DTXCID403593022-(2-nitro-1-phenylethyl)cyclohexan-1-oneOprea1_286784SCHEMBL69796832-(2-nitro-1-phenyl-ethyl)-cyclohexanone
Database identifiers
- CAS
4591-64-4- PubChem CID
- 5111519
- DTXSID
DTXSID90408450- Nikkaji
- J731.548A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
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Compound notes
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