3-(4-Bromophenyl)-1-Methyl-1-Nitrosourea

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Properties Simple | Detailed

Formula C8H8BrN3O2
IUPAC Name 3-(4-bromophenyl)-1-methyl-1-nitroso-urea
Molecular Mass 258.072 g·mol−1
Heat of Formation -29.5 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 236.26 Å 3
Surface Area 231.72 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-1-nitroso-3-(p-bromophenyl)urea
  • 1-methyl-3-(4-bromophenyl)-1-nitrosourea
  • 1-methyl-3-(p-bromophenyl)-1-nitrosourea
  • 3-(p-bromophenyl)-1-methyl-1-nitrosourea
  • urea, 3-(p-bromophenyl)-1-methyl-1-nitroso-
CAS Number(s)
  • 23139-02-8
InChIKey XSHFAQXUVMJKGJ-UHFFFAOYSA-N
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Elements H C O Br N