1-{(1R)-2-Chloro-1-[(1,3-Dichloro-2-Propanyl)Oxy]Ethyl}-5-Fluoro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H10Cl3FN2O3
IUPAC Name 1-[(1r)-2-chloro-1-[2-chloro-1-(chloromethyl)ethoxy]ethyl]-5-fluoro-pyrimidine-2,4-dione
Molecular Mass 319.545 g·mol−1
Heat of Formation -846.3 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 314.39 Å 3
Surface Area 265.7 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-1-(2-chloro-1-(2-chloro-1-(chloromethyl)ethoxy)ethyl)-5-fluoro-2,4(1h,3h)-pyrimidinedione
  • 1-[(1r)-2-chloro-1-(1,3-dichloropropan-2-yloxy)ethyl]-5-fluoro-pyrimidine-2,4-dione
  • 1-[(1r)-2-chloro-1-[2-chloro-1-(chloromethyl)ethoxy]ethyl]-5-fluoro-pyrimidine-2,4-dione
  • 1-[(1r)-2-chloro-1-[2-chloro-1-(chloromethyl)ethoxy]ethyl]-5-fluoro-pyrimidine-2,4-quinone
  • 1-[(1r)-2-chloro-1-[2-chloro-1-(chloromethyl)ethoxy]ethyl]-5-fluoropyrimidine-2,4-dione
  • 2',3',5'-trichloro-2',3'-5'-trideoxy-5-fluoro-2',3'-secouridine
  • 2,4(1h,3h)-pyrimidinedione, 1-(2-chloro-1-(2-chloro-1-(chloromethyl)ethoxy)ethyl)-5-fluoro-, (r)-
  • ttfsu
CAS Number(s)
  • 117638-35-4
InChIKey BLJTVCJDXYBUEH-SSDOTTSWSA-N
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Elements C F H Cl O N