4-Bromobenzaldehyde dimethyl acetal

C₉H₁₁BrO₂CAS 24856-58-4231.09 g/mol

Open in Covalent MOL file

Acetal Aryl halide Ether

Properties

Molecular formula: C₉H₁₁BrO₂
Molar mass: 231.09 g/mol
Exact mass: 229.9942 Da
Boiling point: 98 °C (at 10 Torr)
logP: 2.74Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

24856-58-4

SMILES

COC(OC)c1ccc(Br)cc1

InChIKey

TWFNGPDYMFEHOB-UHFFFAOYSA-N

InChI

InChI=1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3

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Names and synonyms

4 names

Benzene, 1-bromo-4-(dimethoxymethyl)-
Benzaldehyde, p-bromo-, dimethyl acetal
1-Bromo-4-(dimethoxymethyl)benzene
p-Bromobenzaldehyde dimethyl acetal

Work with 4-Bromobenzaldehyde dimethyl 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

Benzaldehyde dimethyl acetal1125-88-856 % similar 2-(4-Bromophenyl)-1,3-dioxolane10602-01-456 % similar Anisaldehyde dimethyl acetal2186-92-756 % similar 1-Bromo-4-isopropylbenzene586-61-850 % similar (1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-145 % similar 1-(4-Bromophenyl)ethylamine24358-62-145 % similar (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-145 % similar (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-445 % similar

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

Same formula

1-(2-Bromoethoxy)-2-methoxybenzene4463-59-6 3,5-Dimethoxybenzyl bromide877-88-3

Elsewhere

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