Bratenol

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Properties Simple | Detailed

Formula C17H18ClNO4
IUPAC Name [6-(hydroxymethyl)-2-pyridyl]methyl 2-(4-chlorophenoxy)-2-methyl-propanoate
Molecular Mass 335.782 g·mol−1
Heat of Formation -556.2 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 390.66 Å 3
Surface Area 341.02 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (6-(hydroxymethyl)-2-pyridyl)methyl 2-(p-chlorophenoxy)-2-methylpropionate
  • 2-(4-chlorophenoxy)-2-methyl-propionic acid (6-methylol-2-pyridyl)methyl ester
  • 2-(4-chlorophenoxy)-2-methylpropanoic acid [6-(hydroxymethyl)-2-pyridyl]methyl ester
  • [6-(hydroxymethyl)pyridin-2-yl]methyl 2-(4-chlorophenoxy)-2-methyl-propanoate
  • [6-(hydroxymethyl)pyridin-2-yl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CAS Number(s)
  • 55285-45-5
InChIKey YJBIJSVYPHRVCI-UHFFFAOYSA-N
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Elements H C N O Cl