Methyl 4-Chloro-5-Phenylisoxazole-3-Carboxylate

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Properties Simple | Detailed

Formula C11H8ClNO3
IUPAC Name methyl 4-chloro-5-phenyl-isoxazole-3-carboxylate
Molecular Mass 237.639 g·mol−1
Heat of Formation -156.5 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 254.59 Å 3
Surface Area 243.07 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chloro-5-phenyl-3-isoxazolecarboxylic acid methyl ester
  • 4-chloro-5-phenyl-isoxazole-3-carboxylic acid methyl ester
  • methyl 4-chloro-5-phenyl-1,2-oxazole-3-carboxylate
InChIKey NSOKHAWDAUYLGF-UHFFFAOYSA-N
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Elements H C N O Cl