5-Chlorouracil

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Properties Simple | Detailed

Formula C4H3ClN2O2
IUPAC Name 5-chloro-1h-pyrimidine-2,4-dione
Molecular Mass 146.532 g·mol−1
Heat of Formation -328.4 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 142.32 Å 3
Surface Area 149.18 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-chloro-
  • 5-chloro-2,4-dihydroxypyrimidine
  • 5-chloropyrimidine-2,4(1h,3h)-dione
  • uracil, 5-chloro-
  • uracil, 5-chloro- (van) (8ci)
CAS Number(s)
  • 1820-81-1
InChIKey ZFTBZKVVGZNMJR-UHFFFAOYSA-N
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Elements H C N O Cl