2-(4-Bromophenyl)-1,3-dioxolane

C₉H₉BrO₂CAS 10602-01-4229.07 g/mol

Open in Covalent MOL file

Acetal Aryl halide Ether

Properties

Molecular formula: C₉H₉BrO₂
Molar mass: 229.07 g/mol
Exact mass: 227.9786 Da
logP: 2.49Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

10602-01-4

SMILES

C1COC(O1)C2=CC=C(C=C2)Br

InChIKey

ZYIMHOWVWWHLDN-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(4-Bromophenyl)-1,3-dioxolane

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-dioxolane17789-14-959 % similar 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-556 % similar 4-Bromobenzaldehyde dimethyl acetal24856-58-456 % similar 1-Bromo-4-cyclopropylbenzene1124-14-750 % similar 1-Bromo-4-cyclohexylbenzene25109-28-845 % similar 1-Bromo-4-isopropylbenzene586-61-844 % similar 1,4-Dibromobenzene106-37-643 % similar 1-(4-Bromophenyl)ethylamine24358-62-140 % similar

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

Same formula

Methyl 3-bromo-4-methylbenzoate104901-43-1 Methyl 3-(bromomethyl)benzoate1129-28-8 Methyl 2-bromo-3-methylbenzoate131001-86-0 4-(Bromomethyl)phenylacetic acid13737-36-5 Methyl 4-bromo-3-methylbenzoate148547-19-7 Methyl 2-(3-bromophenyl)acetate150529-73-0 3-(2-Bromophenyl)propionic acid15115-58-9 3-(4-Bromophenyl)propionic acid1643-30-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook