5-(2-Chloroethyl)-3-Hydroxy-2-Methylisonicotinaldehyde

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Properties Simple | Detailed

Formula C9H10ClNO2
IUPAC Name 5-(2-chloroethyl)-3-hydroxy-2-methyl-pyridine-4-carbaldehyde
Molecular Mass 199.634 g·mol−1
Heat of Formation -287.8 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 226.75 Å 3
Surface Area 214.26 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-chloroethyl)-3-hydroxy-2-methyl-4-pyridinecarboxaldehyde
  • 5-(2-chloroethyl)-3-hydroxy-2-methyl-isonicotinaldehyde
  • alpha-5-pyridoxal methyl chloride
CAS Number(s)
  • 41656-90-0
InChIKey YIXVBGCBVIGDFI-UHFFFAOYSA-N
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Elements H C N O Cl