4-Nitro-1-phenylhexan-1-one
Basic information
- CAS
7404-86-6- Standard SMILES
CCC(CCC(=O)c1ccccc1)[N+](=O)[O-]- InChIKey
QHVUOXLSHJNRFB-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 4-Nitro-1-phenylhexan-1-one
- IUPAC
- 4-nitro-1-phenylhexan-1-one
Names & synonyms
7404-86-64-nitro-1-phenylhexan-1-oneNSC403136DTXSID60323141NSC-403136
Database identifiers
- CAS
7404-86-6- PubChem CID
- 345495
- DTXSID
DTXSID60323141
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
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Related reactions
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Compound notes
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