4-[({4-[Bis(2-Chloroethyl)Amino]Phenoxy}Carbonyl)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C18H18Cl2N2O4
IUPAC Name 4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]benzoic acid
Molecular Mass 397.253 g·mol−1
Heat of Formation -611.1 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 439.12 Å 3
Surface Area 395.91 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(((4-(bis(2-chloroethyl)amino)phenoxy)carbonyl)amino)benzoic acid
  • 4-[[[4-[bis(2-chloroethyl)amino]phenoxy]-oxomethyl]amino]benzoic acid
  • benzoic acid, 4-(((4-(bis(2-chloroethyl)amino)phenoxy)carbonyl)amino)- (9ci)
  • benzoic acid, 4-[[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]amino]-
  • benzoic acid, p-[[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]amino]-
  • carbanilic acid, p-carboxy-, 4-bis(2-chloroethylamino)phenyl ester
  • carbanilic acid, p-carboxy-, n-(p-(bis(2-chloroethyl)amino)phenyl) ester (8ci)
  • i.c. 140
  • n-(p-(bis(2-chloroethyl)amino)phenyl) p-carboxycarbanilate
  • p-(n,n-di-2-chloroethylamino)phenyl n-(p-carboxyphenyl)carbamate
  • p-(n,n-di-2-chloroethyloamino)-phenyl-n-(p-carboxyphenyl)carbamate
  • phenol, p-[bis(2-chloroethyl)amino]-, ester with p-(carboxyamino) benzoic acid
  • phenol, p-[bis(2-chloroethyl)amino]-, ester with p-(carboxyamino)benzoic acid
CAS Number(s)
  • 148-78-7
InChIKey CNLVZUPSGAAHAO-UHFFFAOYSA-N
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