(3R,5R)-5-[(4-Chlorophenoxy)Methyl]-3-(4-Chlorophenyl)-3-(1H-Imidazol-1-Ylmethyl)-2-Methyl-1,2-Oxazolidine

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Properties Simple | Detailed

Formula C21H22Cl2N3O2+
IUPAC Name (2r,3r,5r)-5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-3-(4h-imidazol-3-ium-4-ylium-3-ylmethyl)-2-methyl-isoxazolidine
Molecular Mass 419.324 g·mol−1
Heat of Formation 70.1 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 483.6 Å 3
Surface Area 394.95 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-3-(1-imidazolylmethyl)-2-methylisoxazolidine
  • (3r,5r)-5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
  • (3r,5r)-5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidine
  • 5-((4-chlorophenoxy)methyl)-3-(4-chlorophenyl)-3-((1h-imidazol-1-yl)methyl)-2-methylisoxazolidine
  • isoxazolidine, 5-((4-chlorophenoxy)methyl)-3-(4-chlorophenyl)-3-(1h-imidazol-1-ylmethyl)-2-methyl-, cis-
  • pr 967-248
  • pr 967248
CAS Number(s)
  • 114372-38-2
InChIKey HSQLKJGBDKERBC-RTWAWAEBSA-N
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Elements H C N O Cl