[(1R)-1-[(2R)-2-(2,4-Difluorophenyl)-2-oxiranyl]ethyl]3,5-dinitrobenzoate

HCID 10691998

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

Related reactions

14 records

Linked notes

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