4-(4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy)benzonitrile

C16H12BrNO3CAS 1217366-74-9346.18 g/mol

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OOONBr
AcetalAryl halideEtherNitrile

Properties

Molecular formula
C16H12BrNO3
Molar mass
346.18 g/mol
Exact mass
345.0001 Da
logP
4.16Crippen estimate
Polar surface area
51.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1217366-74-9
SMILES
C1COC(O1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)C#N)Br
InChIKey
LYBDMDIHPQNASE-UHFFFAOYSA-N
InChI
InChI=1S/C16H12BrNO3/c17-15-6-5-13(9-14(15)16-19-7-8-20-16)21-12-3-1-11(10-18)2-4-12/h1-6,9,16H,7-8H2

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Work with 4-(4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy)benzonitrile

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

4-(4-Bromo-3-(hydroxymethyl)phenoxy)benzonitrile906673-45-859 % similar 4-(4-Bromo-3-formylphenoxy)benzonitrile906673-54-953 % similar 2-(2-Bromophenyl)-1,3-dioxolane34824-58-348 % similar 4-Phenoxybenzonitrile3096-81-945 % similar Crisaborole906673-24-340 % similar 4-Ethoxybenzonitrile25117-74-239 % similar 4-Bromo-3-fluorobenzonitrile133059-44-638 % similar 4-Bromo-3-methylbenzonitrile41963-20-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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