3-Phenyl-5-Methylisoxazole-4-Carbonyl Chloride

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Properties Simple | Detailed

Formula C11H8ClNO2
IUPAC Name 5-methyl-3-phenyl-isoxazole-4-carbonyl chloride
Molecular Mass 221.640 g·mol−1
Heat of Formation -53.6 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 240.97 Å 3
Surface Area 222.85 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl-
  • 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
  • 5-methyl-3-phenyl-4-isoxazolecarbonyl chloride
  • 5-methyl-3-phenylisoxazole-4-carbonyl chloride
  • bb_sc-2498
CAS Number(s)
  • 16883-16-2
InChIKey HXEVQMXCHCDPSO-UHFFFAOYSA-N
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Elements H C N O Cl