37421-04-8 Purity
96%
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Specification
The molecular formula of 3,4-Dimethoxyphenethyl bromide is C10H13BrO2.
The molecular weight of 3,4-Dimethoxyphenethyl bromide is 245.11 g/mol.
The IUPAC name of 3,4-Dimethoxyphenethyl bromide is 4-(2-bromoethyl)-1,2-dimethoxybenzene.
The InChI of 3,4-Dimethoxyphenethyl bromide is InChI=1S/C10H13BrO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6H2,1-2H3.
The InChIKey of 3,4-Dimethoxyphenethyl bromide is LTAGXVMHLFYRNK-UHFFFAOYSA-N.
The canonical SMILES of 3,4-Dimethoxyphenethyl bromide is COC1=C(C=C(C=C1)CCBr)OC.
The CAS number of 3,4-Dimethoxyphenethyl bromide is 40173-90-8.
The European Community (EC) number of 3,4-Dimethoxyphenethyl bromide is 627-728-7.
The XLogP3 value of 3,4-Dimethoxyphenethyl bromide is 2.5.
Yes, 3,4-Dimethoxyphenethyl bromide is a canonicalized compound.