chempirical

Veratryl chloride

C9H11ClO2CAS 7306-46-9186.63 g/mol

Open in Covalent MOL file
OClO
Alkyl halideEther

Properties

Molecular formula
C9H11ClO2
Molar mass
186.63 g/mol
Exact mass
186.0448 Da
Melting point
48–49 °C
Boiling point
152–156 °C
logP
2.44Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
7306-46-9
SMILES
COc1ccc(CCl)cc1OC
InChIKey
WWHJLVMBXXXUFO-UHFFFAOYSA-N
InChI
InChI=1S/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3

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Names and synonyms

7 names
  • Benzene, 4-(chloromethyl)-1,2-dimethoxy-
  • Toluene, α-chloro-3,4-dimethoxy-
  • Veratrole, 4-(chloromethyl)-
  • 4-(Chloromethyl)-1,2-dimethoxybenzene
  • 3,4-Dimethoxybenzyl chloride
  • α-Chloro-3,4-dimethoxytoluene
  • 1-Chloromethyl-3,4-dimethoxybenzene

Work with Veratryl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4,5-Trimethoxybenzyl chloride3840-30-062 % similar Veratrylamine5763-61-160 % similar Veratrole alcohol93-03-860 % similar Piperonyl chloride20850-43-557 % similar 3,4-Dimethoxyphenethylamine120-20-756 % similar 2-(3,4-Dimethoxyphenyl)ethanol7417-21-256 % similar 4-Methoxybenzyl chloride824-94-255 % similar Methyl eugenol93-15-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook