4-{4-[Bis(2-Chloroethyl)Amino]-2-Iodophenyl}Butanoic Acid

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Formula C14H18Cl2INO2
IUPAC Name 4-[4-[bis(2-chloroethyl)amino]-2-iodo-phenyl]butanoic acid
Molecular Mass 430.109 g·mol−1
Heat of Formation -394.5 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 400.9 Å 3
Surface Area 354.33 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-bis(2-chloroethyl)amino-2-iodophenyl)butyric acid
  • 4-[4-[bis(2-chloroethyl)amino]-2-iodo-phenyl]butyric acid
  • 4-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]butanoic acid
  • benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-2-iodo-
CAS Number(s)
  • 51553-14-1
InChIKey ZGBCBLIGQZRBOC-UHFFFAOYSA-N
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