4-{4-[Bis(2-Chloroethyl)Amino]Phenyl}-3,3-Difluorobutanoic Acid

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Properties Simple | Detailed

Formula C14H17Cl2F2NO2
IUPAC Name 4-[4-[bis(2-chloroethyl)amino]phenyl]-3,3-difluoro-butanoic acid
Molecular Mass 340.193 g·mol−1
Heat of Formation -878.8 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 375.27 Å 3
Surface Area 330.72 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • 3,3-difluorochlorambucil
  • 4-(p-(bis(2-chloroethyl)amino)phenyl)-3,3-difluorobutyric acid
  • 4-[4-[bis(2-chloroethyl)amino]phenyl]-3,3-difluoro-butyric acid
  • 4-[4-[bis(2-chloroethyl)amino]phenyl]-3,3-difluorobutanoic acid
  • benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-beta,beta-difluoro-
  • beta,beta-difluorochlorambucil
  • butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenyl)-3,3-difluoro-
  • cb7103
CAS Number(s)
  • 103638-41-1
InChIKey BUEVKJMGAZEULE-UHFFFAOYSA-N
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Elements C F H Cl O N