2-{3,5-Dimethyl-4-[3-(3-Methylisoxazol-5-Yl)Propoxy]Phenyl}-5-Methyl-2H-Tetrazole

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Properties Simple | Detailed

Formula C17H21N5O2
IUPAC Name 5-[3-[2,6-dimethyl-4-(5-methyltetrazol-2-yl)phenoxy]propyl]-3-methyl-isoxazole
Molecular Mass 327.381 g·mol−1
Heat of Formation 196.0 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 398.07 Å 3
Surface Area 371.92 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[4-methyl-2h-tetrazol-2-yl]-phenol
  • 2-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-methyl-1,2,3,4-tetrazole
  • 2-[3,5-dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-5-methyltetrazole
  • 2-[3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl]-5-methyl-tetrazole
  • w02
  • win 68934
  • win68934
InChIKey DRCNRTRGWUYJBH-UHFFFAOYSA-N
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