8-{[Bis(2-Chloroethyl)Amino]Methyl}-7-Hydroxy-4-Methyl-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C15H17Cl2NO3
IUPAC Name 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methyl-chromen-2-one
Molecular Mass 330.206 g·mol−1
Heat of Formation -527.9 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 368.3 Å 3
Surface Area 297.03 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 8-((bis(2-chloroethyl)amino)methyl)-7-hydroxy-4-methyl-
  • 4-methyl-7-hydroxy-8-methylenebis(beta-chloroethyl)aminocoumarin
  • 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methyl-2-chromenone
  • 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methyl-coumarin
  • 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one
  • dicourol
  • dicurin
CAS Number(s)
  • 14415-49-7
InChIKey CNALNNVHNPSQEZ-UHFFFAOYSA-N
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