1-{(1R)-2-Chloro-1-[(1,3-Dichloro-2-Propanyl)Oxy]Ethyl}-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H11Cl3N2O3++
IUPAC Name 1-[(1r)-2-chloro-1-[2-chloro-1-(chloromethyl)ethoxy]ethyl]pyrimidine-2,4-dione
Molecular Mass 301.554 g·mol−1
Heat of Formation -681.7 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 305.43 Å 3
Surface Area 259.25 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-1-(2-chloro-1-(2-chloro-1-(chloromethyl)ethoxy)ethyl)-2,4(1h,3h)-pyrimidinedione
  • 1-[(1r)-2-chloro-1-(1,3-dichloropropan-2-yloxy)ethyl]pyrimidine-2,4-dione
  • 1-[(1r)-2-chloro-1-[2-chloro-1-(chloromethyl)ethoxy]ethyl]pyrimidine-2,4-dione
  • 1-[(1r)-2-chloro-1-[2-chloro-1-(chloromethyl)ethoxy]ethyl]pyrimidine-2,4-quinone
  • 2',3',5'-trichloro-2',3',5'-trideoxy-2',3'-secouridine
  • 2,4(1h,3h)-pyrimidinedione, 1-(2-chloro-1-(2-chloro-1-(chloromethyl)ethoxy)ethyl)-, (r)-
CAS Number(s)
  • 117638-25-2
InChIKey CAWQITZXZLLUDQ-MRVPVSSYSA-N
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