4-[({4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetyl)Amino]Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C19H20Cl2N2O3
IUPAC Name 4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]benzoic acid
Molecular Mass 395.280 g·mol−1
Heat of Formation -476.6 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 452.56 Å 3
Surface Area 405.17 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)amino)benzoic acid
  • 4-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]benzoic acid
  • 4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxoethyl]amino]benzoic acid
  • 4-di(2-chloroethyl)aminophenacetyl-4-aminobenzoic acid
  • benzoic acid, 4-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)amino)-
  • pafencil
  • paphencil
  • paphencyl
CAS Number(s)
  • 53498-76-3
InChIKey WAFSPMOKDIXHAB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl