3-(8-Chloro-1-Methyl-4H-(1,2,4)Triazolo(4,3-A)(1,4)Benzodiazepin-6-Yl)Phenol

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Formula C17H13ClN4O
IUPAC Name 3-(8-chloro-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenol
Molecular Mass 324.764 g·mol−1
Heat of Formation 280.5 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 360.64 Å 3
Surface Area 316.57 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • phenol, 3-(8-chloro-1-methyl-4h-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-6-yl)-
  • u 46195
  • u-46,195
  • u-46195
  • u46,195
CAS Number(s)
  • 141490-47-3
InChIKey GGQZNQSJWZEGBR-UHFFFAOYSA-N
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Elements H C N O Cl