2-Methyl-2-Propanyl [(1S)-1-(5-Chloro-4-Oxo-4H-3,1-Benzoxazin-2-Yl)-2-Methylpropyl]Carbamate

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Properties Simple | Detailed

Formula C17H22ClN2O4+
IUPAC Name tert-butyl n-[(1s)-1-(5-chloro-4-oxo-3,1-benzoxazin-2-yl)-2-methyl-propyl]carbamate
Molecular Mass 353.821 g·mol−1
Heat of Formation -723.7 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 410.42 Å 3
Surface Area 361.91 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (1-(5-chloro-4-oxo-4h-3,1-benzoxazin-2-yl)-2-methylpropyl)carbamic acid 1,1-dimethylethyl ester
  • 5-cobce
  • n-[(1s)-1-(5-chloro-4-keto-3,1-benzoxazin-2-yl)-2-methyl-propyl]carbamic acid tert-butyl ester
  • n-[(1s)-1-(5-chloro-4-oxo-3,1-benzoxazin-2-yl)-2-methylpropyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s)-1-(5-chloro-4-oxo-3,1-benzoxazin-2-yl)-2-methyl-propyl]carbamate
  • tert-butyl n-[(1s)-1-(5-chloro-4-oxo-3,1-benzoxazin-2-yl)-2-methylpropyl]carbamate
CAS Number(s)
  • 108562-43-2
InChIKey MJHVWIZCSXLBHF-ZDUSSCGKSA-N
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Elements H C N O Cl