Basic information
- Standard SMILES
C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@]1(c2ccc(F)cc2F)CO1- InChIKey
LHMRCRFZTRBFPO-VVVCHXIZSA-N- Molecular formula
- C17H12F2N2O7
- Average molar mass
- 394.28 g/mol
Names & identifiers
- Preferred name
- [(1R)-1-[(2R)-2-(2,4-Difluorophenyl)-2-oxiranyl]ethyl]3,5-dinitrobenzoate
- IUPAC
- [(1R)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl] 3,5-dinitrobenzoate
Names & synonyms
SCHEMBL7678356LHMRCRFZTRBFPO-VVVCHXIZSA-N[(1R )-1-[(2R )-2-(2,4-Difluorophenyl)-2-oxiranyl]ethyl]3,5-dinitrobenzoate[(1R)-1-[(2R)-2-(2,4-difluorophenyl)- 2-oxiranyl]ethyl]3,5-dinitrobenzoate[(1R)-1-[(2R)-2-(2,4-Difluorophenyl)-2-oxiranyl]ethyl] 3,5-dinitrobenzoate[(1R)-1-[(2R)-2-(2,4-Difluorophenyl)-2-oxiranyl]ethyl]3,5-dinitrobenzoate
Database identifiers
- PubChem CID
- 10691998
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Related reactions
14 records
Linked notes
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