2,3,4-Trichloroanisole

C₇H₅Cl₃OCAS 54135-80-7211.47 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₅Cl₃O
Molar mass: 211.47 g/mol
Exact mass: 209.9406 Da
Melting point: 69–70 °C
logP: 3.66Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

54135-80-7

SMILES

COc1ccc(Cl)c(Cl)c1Cl

InChIKey

FRQUNVLMWIYOLV-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzene, 1,2,3-trichloro-4-methoxy-
1,2,3-Trichloro-4-methoxybenzene
1-Methoxy-2,3,4-trichlorobenzene
2,3,4-Trichloroanisol

Work with 2,3,4-Trichloroanisole

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

2,3-Dichloroanisole1984-59-469 % similar 1,2,3,4-Tetrachlorobenzene634-66-255 % similar 1,4-Dichloro-2-methoxybenzene1984-58-350 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-750 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-650 % similar 2-Chloroanisole766-51-850 % similar 5-Bromo-2-chloroanisole16817-43-947 % similar 2-Chloro-4-fluoro-1-methoxybenzene2267-25-647 % similar

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

Same formula

2,4,6-Trichloroanisole87-40-1

Elsewhere

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