1-tert-Butoxy-4-chlorobenzene

C₁₀H₁₃ClOCAS 18995-35-2184.66 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₀H₁₃ClO
Molar mass: 184.66 g/mol
Exact mass: 184.0655 Da
logP: 3.52Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

18995-35-2

SMILES

CC(C)(C)OC1=CC=C(C=C1)Cl

InChIKey

NEJWTQIEQDHWTR-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3

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Names and synonyms

1 names

1-Chloro-4-tert-butoxybenzene

Work with 1-tert-Butoxy-4-chlorobenzene

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

tert-Butoxybenzene6669-13-256 % similar p-tert-Butoxyphenol2460-87-956 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % similar 4-(1,1-Dimethylethoxy)benzaldehyde57699-45-350 % similar 4-Chloroanisole623-12-150 % similar Clofibric acid882-09-750 % similar 1-(1,1-Dimethylethoxy)-4-ethenylbenzene95418-58-950 % similar 1-Chloro-4-ethoxybenzene622-61-745 % similar

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

Same formula

5-Chloro-2-adamantanone20098-17-3 Benzenemethanol, alpha-(2-chloroethyl)-4-methyl-22422-27-1 Chlorothymol89-68-9

Elsewhere

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