5-Chlorocytosine

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Properties Simple | Detailed

Formula C4H4ClN3O
IUPAC Name 6-amino-5-chloro-pyrimidin-2-one
Molecular Mass 145.547 g·mol−1
Heat of Formation -91.2 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 146.15 Å 3
Surface Area 152.38 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(1h)-pyrimidinone, 4-amino-5-chloro-
  • 4-amino-5-chloro-3h-pyrimidin-2-one
CAS Number(s)
  • 2347-43-5
InChIKey PNWOYKVCNDZOLS-UHFFFAOYSA-N
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DOI
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Elements H C N O Cl