chempirical

2-Bromo-4,5-dimethoxyphenylacetonitrile

C10H10BrNO2CAS 51655-39-1256.10 g/mol

Open in Covalent MOL file
ONBrO
Aryl halideEtherNitrile

Properties

Molecular formula
C10H10BrNO2
Molar mass
256.10 g/mol
Exact mass
254.9895 Da
logP
2.53Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
51655-39-1
SMILES
COC1=C(C=C(C(=C1)CC#N)Br)OC
InChIKey
OYPMCZMEPRFUFJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10BrNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3H2,1-2H3

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Work with 2-Bromo-4,5-dimethoxyphenylacetonitrile

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-Bromo-4,5-dimethoxybenzyl bromide53207-00-459 % similar 3-Bromo-4-methoxyphenylacetonitrile772-59-858 % similar 2-Methoxybenzeneacetonitrile7035-03-254 % similar 3-Bromo-4-hydroxy-5-methoxyphenylacetonitrile81038-44-054 % similar 1,2-Dibromo-4,5-dimethoxybenzene37895-73-153 % similar 2,5-Dimethoxyphenylacetonitrile18086-24-353 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-451 % similar 2-Bromo-4,5-dimethoxyphenylacetic acid4697-62-549 % similar

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

Same formula

Brofoxine21440-97-1

Elsewhere

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