2-[3-Chloro-4-(4-Chlorobenzoyl)Phenyl]-1,2,4-Triazine-3,5(2H,4H)-Dione

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Properties Simple | Detailed

Formula C16H9Cl2N3O3
IUPAC Name 2-[3-chloro-4-(4-chlorobenzoyl)phenyl]-1,2,4-triazine-3,5-dione
Molecular Mass 362.167 g·mol−1
Heat of Formation -173.9 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 374.31 Å 3
Surface Area 334.59 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazine-3,5(2h,4h)-dione, 2-(3-chloro-4-(4-chlorobenzoyl)phenyl)-
  • 2-(3-chloro-4-(4-chlorobenzoyl))phenyl-as-triazine-3,5(2h,4h)dione
  • 2-(3-chloro-4-(4-chlorobenzoyl)phenyl)-1,2,4-triazine-3,5(2h,4h)-dione
  • 2-[3-chloro-4-(4-chlorobenzoyl)phenyl]-1,2,4-triazine-3,5-quinone
  • 2-[3-chloro-4-(4-chlorophenyl)carbonyl-phenyl]-1,2,4-triazine-3,5-dione
  • 2-[3-chloro-4-[(4-chlorophenyl)-oxomethyl]phenyl]-1,2,4-triazine-3,5-dione
  • cp 25415
  • cp-24,415
CAS Number(s)
  • 38571-19-6
InChIKey NIRBVFLCQJVJOQ-UHFFFAOYSA-N
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Elements H C N O Cl