1-Bromo-4-(diethoxymethyl)benzene

C11H15BrO2CAS 34421-94-8259.14 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 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
34421-94-8
SMILES
CCOC(C1=CC=C(C=C1)Br)OCC
InChIKey
BFSNEBVTOODGHZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3

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Names and synonyms

1 names
  • 4-Bromobenzaldehyde diethyl acetal

Work with 1-Bromo-4-(diethoxymethyl)benzene

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-(4-Bromophenyl)-1,3-dioxolane10602-01-467 % similar (Diethoxymethyl)benzene774-48-161 % similar 4-Bromobenzaldehyde dimethyl acetal24856-58-455 % similar 4-(Diethoxymethyl)benzaldehyde81172-89-655 % similar 4-Bromophenetole588-96-550 % similar 1-Bromo-4-cyclopropylbenzene1124-14-745 % similar 1-Bromo-4-isopropylbenzene586-61-845 % similar Ethyl 4-bromobenzoate5798-75-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromoadamantane-1-carboxylic acid21816-08-0 2-Bromobenzaldehyde diethyl acetal35822-58-3 3-Bromobenzaldehyde diethyl acetal75148-49-1

Elsewhere

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