5-Chloro-1-(2-Propyn-1-Yl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C7H5ClN2O
IUPAC Name 5-chloro-1-prop-2-ynyl-pyrimidin-2-one
Molecular Mass 168.580 g·mol−1
Heat of Formation 187.0 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 181.44 Å 3
Surface Area 182.36 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propargyl-5-chloropyrimidin-2-one
  • 2(1h)-pyrimidinone, 5-chloro-1-(2-propynyl)-
  • 5-chloro-1-(2-propynyl)-2(1h)-pyrimidinone
  • 5-chloro-1-prop-2-ynyl-2-pyrimidinone
  • 5-chloro-1-prop-2-ynylpyrimidin-2-one
  • 5-chloro-1-propargyl-pyrimidin-2-one
  • ny 3170
  • ny-3170
CAS Number(s)
  • 63331-26-0
InChIKey OZVGZWRCMBFDBF-UHFFFAOYSA-N
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Elements H C N O Cl