3,4,5-Trimethoxybenzyl chloride

C₁₀H₁₃ClO₃CAS 3840-30-0216.66 g/mol

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Properties

Molecular formula: C₁₀H₁₃ClO₃
Molar mass: 216.66 g/mol
Exact mass: 216.0553 Da
Melting point: 60–62 °C
Boiling point: 110 °C (at 0.1 Torr)
logP: 2.45Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

3840-30-0

SMILES

COc1cc(CCl)cc(OC)c1OC

InChIKey

XXRUQNNAKXZSOS-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3

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Names and synonyms

5 names

Benzene, 5-(chloromethyl)-1,2,3-trimethoxy-
Toluene, α-chloro-3,4,5-trimethoxy-
5-(Chloromethyl)-1,2,3-trimethoxybenzene
NSC 100940
1-(Chloromethyl)-3,4,5-trimethoxybenzene

Work with 3,4,5-Trimethoxybenzyl 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 Isotope patternExact mass and the mass spectrum pattern

Same formula

(-)-Camphanoyl chloride39637-74-6

Elsewhere

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