4-[(4-Chlorobenzyl)Oxy]Benzyl Nicotinate

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Properties Simple | Detailed

Formula C20H16ClNO3
IUPAC Name [4-[(4-chlorophenyl)methoxy]phenyl]methyl pyridine-3-carboxylate
Molecular Mass 353.799 g·mol−1
Heat of Formation -198.4 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 404.73 Å 3
Surface Area 377.47 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (4-(4-chlorobenzyloxy)phenyl)methyl nicotinate
  • 3-pyridinecarboxylic acid [4-[(4-chlorophenyl)methoxy]phenyl]methyl ester
  • 3-pyridinecarboxylic acid, (4-((4-chlorophenyl)methoxy)phenyl)methyl ester
  • kcd 232
  • kcd-232
  • nicotinic acid [4-(4-chlorobenzyl)oxybenzyl] ester
CAS Number(s)
  • 63608-11-7
InChIKey VAOFYKUGDPBCRA-UHFFFAOYSA-N
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Elements H C N O Cl