6-Amino-5-(4-Chlorobenzyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H10ClN3O2
IUPAC Name 6-amino-5-[(4-chlorophenyl)methyl]-1h-pyrimidine-2,4-dione
Molecular Mass 251.669 g·mol−1
Heat of Formation -278.9 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 274.65 Å 3
Surface Area 252.13 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 6-amino-5-((4-chlorophenyl)methyl)-, (8s-cis)-
  • 5-(4-chlorobenzyl)-6-aminouracil
  • 5-(p-chlorobenzyl)-6-aminouracil
  • 5-clau
  • 6-amino-5-(4-chlorobenzyl)uracil
CAS Number(s)
  • 73908-08-4
InChIKey NEZKNLMSEQZXFW-UHFFFAOYSA-N
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Elements H C N O Cl