Benzyl [(2S)-4-Chloro-3-Oxo-2-Butanyl]Carbamate

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Properties Simple | Detailed

Formula C12H14ClNO3
IUPAC Name benzyl n-[(1s)-3-chloro-1-methyl-2-oxo-propyl]carbamate
Molecular Mass 255.697 g·mol−1
Heat of Formation -484.9 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 298.08 Å 3
Surface Area 285.5 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • benzyloxycarbonyl-ala-chloromethyl ketone
  • benzyloxycarbonylalanine chloromethyl ketone
  • n-[(1s)-3-chloro-1-methyl-2-oxopropyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s)-3-chloro-1-methyl-2-oxo-propyl]carbamate
  • phenylmethyl n-[(2s)-4-chloro-3-oxo-butan-2-yl]carbamate
  • phenylmethyl n-[(2s)-4-chloro-3-oxobutan-2-yl]carbamate
CAS Number(s)
  • 41036-43-5
InChIKey ASDQMJAOUJQRCM-VIFPVBQESA-N
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Elements H C N O Cl