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

C9H9BrO2CAS 34824-58-3229.07 g/mol

Open in Covalent MOL file
OOBr
AcetalAryl halideEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
34824-58-3
SMILES
C1COC(O1)C2=CC=CC=C2Br
InChIKey
IWSGKSUCFVOWQU-UHFFFAOYSA-N
InChI
InChI=1S/C9H9BrO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2

Weigh it out

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Work with 2-(2-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-Bromobenzaldehyde diethyl acetal35822-58-368 % similar 4-(4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy)benzonitrile1217366-74-948 % similar 1-Bromo-2-(1-methylethyl)benzene7073-94-146 % similar 2-(3-Bromophenyl)-1,3-dioxolane17789-14-942 % similar 1-(2-Bromophenyl)ethan-1-ol114446-55-842 % similar (R)-1-(2-Bromophenyl)ethanol76116-20-642 % similar 2-(2-Bromophenyl)pyrrolidine129540-24-541 % similar 1,2-Dibromobenzene583-53-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3-bromo-4-methylbenzoate104901-43-1 2-(4-Bromophenyl)-1,3-dioxolane10602-01-4 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

Elsewhere

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