3-[A-(P-Chlorophenoxy)Isobutyryloxy]Propyl Nicotinate

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Properties Simple | Detailed

Formula C19H20ClNO5
IUPAC Name 3-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxypropyl pyridine-3-carboxylate
Molecular Mass 377.819 g·mol−1
Heat of Formation -743.3 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 438.32 Å 3
Surface Area 350.63 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(nicotinoyloxy)propyl p-chlorophenoxyisobutyrate
  • 3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxypropyl pyridine-3-carboxylate
  • 3-hydroxypropyl nicotinate, 2-(p-chlorophenoxy)-2-methylpropionate (ester)
  • 3-pyridinecarboxylic acid 3-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]propyl ester
  • 3-pyridinecarboxylic acid, 3-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)propyl ester
  • i 612
  • ronifibratum [latin]
CAS Number(s)
  • 42597-57-9
InChIKey AYJVGKWCGIYEAK-UHFFFAOYSA-N
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Elements H C N O Cl