(6-Amino-5-Bromo-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Acetic Acid

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Properties Simple | Detailed

Formula C6H6BrN3O4
IUPAC Name 2-(6-amino-5-bromo-2,4-dioxo-pyrimidin-1-yl)acetic acid
Molecular Mass 264.034 g·mol−1
Heat of Formation -644.0 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 222.33 Å 3
Surface Area 208.86 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(6-amino-5-bromo-2,4-diketo-pyrimidin-1-yl)acetic acid
  • 2-(6-amino-5-bromo-2,4-dioxo-1-pyrimidinyl)acetic acid
  • 2-(6-amino-5-bromo-2,4-dioxo-pyrimidin-1-yl)ethanoic acid
  • 2-(6-amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid
CAS Number(s)
  • 5050-51-1
InChIKey CKNDYYPLVSCPSQ-UHFFFAOYSA-N
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Elements H C O Br N