4-[Bis(2-Chloroethyl)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C11H13Cl2NO2
IUPAC Name 4-[bis(2-chloroethyl)amino]benzoic acid
Molecular Mass 262.132 g·mol−1
Heat of Formation -391.3 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 293.76 Å 3
Surface Area 270.56 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(bis(2-chloroethyl)amino)benzoic acid
  • 4-n-bis(2-chloroethyl)aminobenzoic acid
  • benzoic acid nitrogen mustard
  • benzoic acid, 4-(bis(2-chloroethyl)amino)-
  • benzoic acid, 4-(bis(2-chloroethyl)amino)- (9ci)
  • benzoic acid, 4-[bis(2-chloroethyl)amino]-
  • benzoic acid, p-(bis(2-chloroethyl)amino)-
  • benzoic acid, p-[bis(2-chloroethyl)amino]-
  • p-n,n-bis(2-chloroethyl)aminobenzoic acid
CAS Number(s)
  • 1141-37-3
InChIKey PCLQMXVMRDPVKX-UHFFFAOYSA-N
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Elements H C N O Cl