5-[4-(3,4-Dichloro-2-Propylphenoxy)Butyl]-2H-Tetrazole

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Properties Simple | Detailed

Formula C14H18Cl2N4O
IUPAC Name 5-[4-(3,4-dichloro-2-propylphenoxy)butyl]-2h-tetrazole
Molecular Mass 329.225 g·mol−1
Heat of Formation 35.8 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 378.26 Å 3
Surface Area 344.44 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-tetrazole, 5-(4-(3,4-dichloro-2-propylphenoxy)butyl)-
  • 5-(4-(3,4-dichloro-2-propylphenoxy)butyl)-1h-tetrazole
  • 5-[4-(3,4-dichloro-2-propyl-phenoxy)butyl]-2h-1,2,3,4-tetrazole
  • 5-[4-(3,4-dichloro-2-propyl-phenoxy)butyl]-2h-tetrazole
  • ly 137617
  • ly-137617
CAS Number(s)
  • 96795-49-2
InChIKey QXNMEKNZLUTDKZ-UHFFFAOYSA-N
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Elements H C N O Cl