3-Bromobenzaldehyde diethyl acetal

C11H15BrO2CAS 75148-49-1259.14 g/mol

Open in Covalent MOL file
OBrO
AcetalAryl halideEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Elsewhere

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