3-Bromobenzaldehyde diethyl acetal

C₁₁H₁₅BrO₂CAS 75148-49-1259.14 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

75148-49-1

SMILES

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

InChIKey

KDHRJLQXMOBXRV-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1-Bromo-3-(diethoxymethyl)benzene

Work with 3-Bromobenzaldehyde diethyl acetal

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-Bromophenyl)-1,3-dioxolane17789-14-971 % similar (Diethoxymethyl)benzene774-48-158 % similar 3-Bromocumene5433-01-252 % similar 1-Bromo-3-ethoxybenzene2655-84-751 % similar (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-847 % similar (+)-1-(3-Bromophenyl)ethanol134615-24-047 % similar (S)-1-(3-Bromophenyl)ethylamine139305-96-747 % similar (R)-1-(3-Bromophenyl)ethanamine176707-77-047 % similar

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

Same formula

3-Bromo-1-adamantanecarboxylic acid21816-08-0 1-Bromo-4-(diethoxymethyl)benzene34421-94-8 2-Bromobenzaldehyde diethyl acetal35822-58-3

Elsewhere

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