Ethyl (4S)-6-(Bromomethyl)-4-Methyl-2-Oxo-1,2,3,4-Tetrahydro-5-Pyrimidinecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C9H13BrN2O3
IUPAC Name ethyl (4s)-6-(bromomethyl)-4-methyl-2-oxo-3,4-dihydro-1h-pyrimidine-5-carboxylate
Molecular Mass 277.115 g·mol−1
Heat of Formation -564.0 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 268.37 Å 3
Surface Area 245.65 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-4-(bromomethyl)-2-keto-6-methyl-3,6-dihydro-1h-pyrimidine-5-carboxylic acid ethyl ester
  • (6s)-4-(bromomethyl)-6-methyl-2-oxo-3,6-dihydro-1h-pyrimidine-5-carboxylic acid ethyl ester
  • ethyl (6s)-4-(bromomethyl)-6-methyl-2-oxo-3,6-dihydro-1h-pyrimidine-5-carboxylate
CAS Number(s)
  • 14757-98-3
InChIKey XSNBUBULHHFXMW-YFKPBYRVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N