3,4,5-Trimethoxybenzoyl chloride

C₁₀H₁₁ClO₄CAS 4521-61-3230.64 g/mol

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Acyl halide Ether

Properties

Molecular formula: C₁₀H₁₁ClO₄
Molar mass: 230.64 g/mol
Exact mass: 230.0346 Da
Melting point: 77–78 °C
Boiling point: 178–180 °C (at 10 Torr)
logP: 2.09Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Identifiers

CAS number

4521-61-3

SMILES

COc1cc(C(=O)Cl)cc(OC)c1OC

InChIKey

BUHYMJLFRZAFBF-UHFFFAOYSA-N

InChI

InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3

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Names and synonyms

5 names

Benzoyl chloride, 3,4,5-trimethoxy-
Trimethylgalloyl chloride
Tri-O-methylgalloyl chloride
3,4,5-Trimethoxybenzoic acid chloride
NSC 91023

Work with 3,4,5-Trimethoxybenzoyl 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

Similar compounds

3,4-Dimethoxybenzoyl chloride3535-37-366 % similar 3,5-Dimethoxybenzoyl chloride17213-57-961 % similar 3′,4′,5′-Trimethoxyacetophenone1136-86-359 % similar Eudesmic acid118-41-258 % similar Methyl 3,4,5-trimethoxybenzoate1916-07-058 % similar Trimesoyl chloride4422-95-152 % similar 4-Methoxybenzoyl chloride100-07-252 % similar Ethyl 3,4,5-trimethoxybenzoate6178-44-551 % similar

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

Elsewhere

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