1-Bromo-4-(diethoxymethyl)benzene

C₁₁H₁₅BrO₂CAS 34421-94-8259.14 g/mol

Open in Covalent MOL file

Acetal Aryl halide Ether

Properties

Molecular formula: C₁₁H₁₅BrO₂
Molar mass: 259.14 g/mol
Exact mass: 258.0255 Da
logP: 3.52Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

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

34421-94-8

SMILES

CCOC(C1=CC=C(C=C1)Br)OCC

InChIKey

BFSNEBVTOODGHZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3

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Names and synonyms

1 names

4-Bromobenzaldehyde diethyl acetal

Work with 1-Bromo-4-(diethoxymethyl)benzene

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-(4-Bromophenyl)-1,3-dioxolane10602-01-467 % similar (Diethoxymethyl)benzene774-48-161 % similar 4-Bromobenzaldehyde dimethyl acetal24856-58-455 % similar 4-(Diethoxymethyl)benzaldehyde81172-89-655 % similar 4-Bromophenetole588-96-550 % similar 1-Bromo-4-cyclopropylbenzene1124-14-745 % similar 1-Bromo-4-isopropylbenzene586-61-845 % similar Ethyl 4-bromobenzoate5798-75-442 % similar

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

Same formula

3-Bromo-1-adamantanecarboxylic acid21816-08-0 2-Bromobenzaldehyde diethyl acetal35822-58-3 3-Bromobenzaldehyde diethyl acetal75148-49-1

Elsewhere

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