2-(4-Nitrophenyl)Ethyl Hydrogen (5-Chloropentyl)Phosphonate

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Properties Simple | Detailed

Formula C13H19ClNO5P
IUPAC Name 5-chloropentyl-[2-(4-nitrophenyl)ethoxy]phosphinic acid
Molecular Mass 335.720 g·mol−1
Heat of Formation -887.5 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 378.18 Å 3
Surface Area 301.61 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrophenylethyl 5-chloropentylphosphonate
  • p-nitrophenylethyl 5-chloropentylphosphonate
  • para-nitrophenylethyl 5-chloropentylphosphonate
  • phosphonic acid, (5-chloropentyl)-, ethyl 4-nitrophenyl ester
CAS Number(s)
  • 3317-59-7
InChIKey MPGWBJWPEOMIBC-UHFFFAOYSA-N
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Elements C Cl H O N P