Basic information
- Standard SMILES
O=C1CCCCC1[C@@H](C[N+](=O)[O-])c1ccc(Cl)c(Cl)c1- InChIKey
DVNMRCJEYNPMKE-DTIOYNMSSA-N- Molecular formula
- C14H15Cl2NO3
- Average molar mass
- 316.2 g/mol
Names & identifiers
- Preferred name
- rac-(2S*)-2-[(R*)-3,4-dichloro-alpha-(nitromethyl)benzyl]cyclohexanone
- IUPAC
- 2-[(1R)-1-(3,4-dichlorophenyl)-2-nitroethyl]cyclohexan-1-one
Names & synonyms
DVNMRCJEYNPMKE-DTIOYNMSSA-Nrac-(2S*)-2-[(R*)-3,4-dichloro-alpha-(nitromethyl)benzyl]cyclohexanone
Database identifiers
- PubChem CID
- 53781409
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Related reactions
2 records
Compound notes
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