3-Chloro-5-[2-Chloro-5-(2H-Pyrazolo[3,4-B]Pyridin-3-Ylmethoxy)Phenoxy]Benzonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C20H12Cl2N4O2
IUPAC Name 3-chloro-5-[2-chloro-5-(pyrazolo[3,4-b]pyridin-1-ium-2-id-3-ylmethoxy)phenoxy]benzonitrile
Molecular Mass 411.241 g·mol−1
Heat of Formation 244.2 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 437.75 Å 3
Surface Area 350.23 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 2
  • 3
  • 4
  • 5
  • [
  • ]
  • a
  • b
  • c
  • d
  • e
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • t
  • x
  • y
  • z
InChIKey SVMHTBVIPYVDIL-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl