1-(2-Chloroethyl)-3-[(1R,2R)-2-Hydroxycyclohexyl]-1-Nitrosourea

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Formula C9H16ClN3O3
IUPAC Name 1-(2-chloroethyl)-3-[(1r,2r)-2-hydroxycyclohexyl]-1-nitroso-urea
Molecular Mass 249.695 g·mol−1
Heat of Formation -482.0 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 288.05 Å 3
Surface Area 266.56 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-(trans-2-hydroxycyclohexyl)-1-nitrosourea
  • 1-(2-chloroethyl)-3-[(1r,2r)-2-hydroxycyclohexyl]-1-nitroso-urea
  • n-(2-chloroethyl)-n'-(trans-2-hydroxycyclohexyl)-n-nitrosourea
  • trans-2-oh ccnu
  • trans-2-oh-ccnu
  • urea, 1-(2-chloroethyl)-3-(trans-2-hydroxycyclohexyl)-1-nitroso-
  • urea, n-(2-chloroethyl)-n'-(2-hydroxycyclohexyl)-n-nitroso-, trans-
  • urea, n-(2-chloroethyl)-n'-(2-hydroxycyclohexyl)-n-nitroso-, trans- (9ci)
CAS Number(s)
  • 58494-43-2
InChIKey STQSMIAHSQBRBH-HTQZYQBOSA-N
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Elements H C N O Cl