N-[4-(3-Chloro-3H-Diaziren-3-Yl)Benzoyl]Glycine

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Properties Simple | Detailed

Formula C10H8ClN3O3
IUPAC Name 2-[[4-(3-chlorodiazirin-3-yl)benzoyl]amino]acetic acid
Molecular Mass 253.642 g·mol−1
Heat of Formation -59.5 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 276.4 Å 3
Surface Area 259.52 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[4-(3-chloro-1,2-diazirin-3-yl)phenyl]carbonylamino]ethanoic acid
  • 2-[[[4-(3-chloro-3-diazirinyl)phenyl]-oxomethyl]amino]acetic acid
  • cdbg
  • n-(4-(3-chlorodiazirin-3-yl)benzoyl)glycine
CAS Number(s)
  • 104745-67-7
InChIKey ORVURRVCHHWGDK-UHFFFAOYSA-N
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Elements H C N O Cl