4-(Nitrooxy)Butyl 2-((2,6-Dichlorophenyl)Amino)Benzeneacetate

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Properties Simple | Detailed

Formula C18H18Cl2N2O5
IUPAC Name 4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
Molecular Mass 413.252 g·mol−1
Heat of Formation -457.9 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 444.56 Å 3
Surface Area 334.99 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((2,6-dichlorophenyl)amino)benzeneacetate-4-hydroxybutylnitric ester
  • 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid 4-nitrooxybutyl ester
  • 4-nitrooxybutyl 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate
  • 4-nitrooxybutyl 2-[2-[(2,6-dichlorophenyl)amino]phenyl]ethanoate
  • benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, 4-(nitrooxy)butyl ester
CAS Number(s)
  • 154766-10-6
  • 156661-01-7
InChIKey CQVHWLHWUZRTQC-UHFFFAOYSA-N
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Elements H C N O Cl