2-(Bromomethyl)-4H-3,1-Benzoxazin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C9H6BrNO2
IUPAC Name 2-(bromomethyl)-3,1-benzoxazin-4-one
Molecular Mass 240.053 g·mol−1
Heat of Formation -147.6 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 210.23 Å 3
Surface Area 208.07 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromomethyl-3,1-benzoxazin-4-one
  • 4h-3,1-benzoxazin-4-one, 2-(bromomethyl)-
CAS Number(s)
  • 43160-23-2
InChIKey WEPHCGACXIAFJQ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N