Vanillin, 5-Chloro-

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Properties Simple | Detailed

Formula C8H7ClO3
IUPAC Name 3-chloro-4-hydroxy-5-methoxy-benzaldehyde
Molecular Mass 186.592 g·mol−1
Heat of Formation -395.7 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 197.71 Å 3
Surface Area 195.51 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-chloro-4-hydroxy-5-methoxybenzaldehyde
  • 3-chlorovanillin
  • 5-chlorovanillin
  • benzaldehyde, 3-chloro-4-hydroxy-5-methoxy-
  • benzaldehyde, 3-chloro-4-hydroxy-5-methoxy- (9ci)
  • chloro-4-hydroxy-3-methoxybenzaldehyde
  • vanillin, 5-chloro- (8ci)
  • zero/001041
CAS Number(s)
  • 19463-48-0
  • 61670-76-6
InChIKey ONIVKFDMLVBDRK-UHFFFAOYSA-N
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Elements H C O Cl