Chloropyrimidine

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Properties Simple | Detailed

Formula C4H3ClN2
IUPAC Name 2-chloropyrimidine
Molecular Mass 114.533 g·mol−1
Heat of Formation 152.6 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 120.56 Å 3
Surface Area 131.94 Å 2
HOMO Energy -10.67 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C2v
Synonyms
  • 2-chloro-4-deoxyuracil
  • bb_sc-2990
  • pyrimidine, 2-chloro-
CAS Number(s)
  • 1722-12-9
InChIKey UNCQVRBWJWWJBF-UHFFFAOYSA-N
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Elements H C N Cl