6-(Chloromethyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C5H5ClN2O2
IUPAC Name 6-(chloromethyl)-1h-pyrimidine-2,4-dione
Molecular Mass 160.558 g·mol−1
Heat of Formation -368.6 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 165.56 Å 3
Surface Area 169.4 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 6-(chloromethyl)-
  • 4-(chloromethyl)uracil
  • 6-(chloromethyl)uracil
  • 6-chloromethyluracil
CAS Number(s)
  • 18592-13-7
InChIKey VCFXBAPEXBTNEA-UHFFFAOYSA-N
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Elements H C N O Cl