5-Bromo-2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinecarboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C5H3BrN2O4
IUPAC Name 5-bromo-2,6-dioxo-pyrimidine-4-carboxylic acid
Molecular Mass 234.992 g·mol−1
Heat of Formation -611.6 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 181.92 Å 3
Surface Area 180.96 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-pyrimidinecarboxylic acid, 5-bromo-1,2,3,6-tetrahydro-2,6-dioxo-
  • 4-pyrimidinecarboxylic acid, 5-bromo-1,2,3,6-tetrahydro-2,6-dioxo- (9ci)
  • 5-bromo-2,6-diketo-3h-pyrimidine-4-carboxylic acid
  • 5-bromo-6-carboxy-2,4-dihydroxypyrimidine
  • 5-bromoorotic acid
  • orotic acid, 5-bromo-
  • orotic acid, 5-bromo- (van) (8ci)
CAS Number(s)
  • 15018-62-9
InChIKey YQYHIPBLZSIHDI-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br O N