1,1-Di-(2-Bromoethyl)-4-Nitroso-4-(2-Chloroethyl)Semicarbazide

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Properties Simple | Detailed

Formula C7H13Br2ClN4O2
IUPAC Name 3-[bis(2-bromoethyl)amino]-1-(2-chloroethyl)-1-nitroso-urea
Molecular Mass 380.465 g·mol−1
Heat of Formation -111.3 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 332.69 Å 3
Surface Area 299.97 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-dbncs
  • 3-(bis(2-bromoethyl)amino)-1-(2-chloroethyl)-1-nitroso-urea
  • 3-(bis(2-bromoethyl)amino)-1-(2-chloroethyl)-1-nitrosourea
  • hydrazinecarboxamide, 2,2-bis(2-bromoethyl)-n-(2-chloroethyl)-n-nitroso-
CAS Number(s)
  • 127146-24-1
InChIKey VKNRUZARYAUWFM-UHFFFAOYSA-N
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Elements C Cl H O N Br