(4S)-6-Chloro-4-[(E)-2-Cyclopropylvinyl]-4-(Trifluoromethyl)-3,4-Dihydro-2(1H)-Quinazolinone

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Properties Simple | Detailed

Formula C14H12ClF3N2O
IUPAC Name (4s)-6-chloro-4-[(e)-2-cyclopropylvinyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Molecular Mass 316.706 g·mol−1
Heat of Formation -644.8 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 337.36 Å 3
Surface Area 292.22 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-6-chloro-4-[(e)-2-cyclopropylethenyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
  • (4s)-6-chloro-4-[(e)-2-cyclopropylvinyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
  • 2(1h)-quinazolinone, 6-chloro-4-((1e)-2-cyclopropylethenyl)-3,4-dihydro-4-(trifluoromethyl)-, (4s)-
  • 2(1h)-quinazolinone, 6-chloro-4-[(1e)-2-cyclopropylethenyl]-3,4-dihydro-4-(trifluoromethyl)-, (4s)-
  • bms-561390
  • dpc 083
  • dpc-083
  • dpc083
CAS Number(s)
  • 214287-99-7
InChIKey UXDWYQAXEGVSPS-GFUIURDCSA-N
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Elements C F H Cl O N