2-Chloro-1,4-diethoxybenzene

C₁₀H₁₃ClO₂CAS 52196-74-4200.66 g/mol

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Aryl halide Ether

Properties

Molecular formula: C₁₀H₁₃ClO₂
Molar mass: 200.66 g/mol
Exact mass: 200.0604 Da
Melting point: 15 °C
Boiling point: 128–129 °C (at 9 Torr)
logP: 3.14Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

52196-74-4

SMILES

CCOc1ccc(OCC)c(Cl)c1

InChIKey

ZIMKMIAIVORSSX-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3

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Names and synonyms

4 names

Benzene, 2-chloro-1,4-diethoxy-
2,5-Diethoxy-1-chlorobenzene
2,5-Diethoxychlorobenzene
NSC 89737

Work with 2-Chloro-1,4-diethoxybenzene

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

1-Chloro-2-ethoxybenzene614-72-263 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-358 % similar 2,5-Diethoxyaniline94-85-958 % similar 1,3-Diethoxybenzene2049-73-255 % similar 1,4-Diethoxybenzene122-95-252 % similar 1-Chloro-4-ethoxybenzene622-61-752 % similar 1,4-Diethoxy-2-nitrobenzene119-23-349 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-748 % similar

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

Elsewhere

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