Tcmdc-125536

Molecule SVG Image

Properties Simple | Detailed

Formula C11H10N2O
IUPAC Name 1-(4-imidazol-1-ylphenyl)ethanone
Molecular Mass 186.210 g·mol−1
Heat of Formation 86.8 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 225.28 Å 3
Surface Area 218.51 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(4-imidazol-1-yl-phenyl)-ethanone
  • 1-(4-imidazol-1-ylphenyl)ethanone
  • 1-[4-(1-imidazolyl)phenyl]ethanone
  • 4′-(imidazol-1-yl)acetophenone
  • 4'-(imidazol-1-yl)acetophenone
  • 4'-(imidazol-1-yl)methyl phenyl ketone
  • ethanone, 1-[4-(1h-imidazol-1-yl)phenyl]-
  • ro 22-3581
  • sdccgmls-0066010.p001
CAS Number(s)
  • 10041-06-2
InChIKey GAIQQJIMVVUTQN-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N