82673-70-9 Purity
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Specification
The molecular formula of 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl is C18H21BrO2.
The molecular weight of 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl is 349.3 g/mol.
The IUPAC name of 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl is 2-(2-bromophenyl)-1,3-di(propan-2-yloxy)benzene.
The InChI of 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl is InChI=1S/C18H21BrO2/c1-12(2)20-16-10-7-11-17(21-13(3)4)18(16)14-8-5-6-9-15(14)19/h5-13H,1-4H3.
The InChIKey of 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl is SHUUMGHTDLOJAU-UHFFFAOYSA-N.
The Canonical SMILES of 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl is CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2Br.
The XLogP3-AA value of 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl is 5.8.
There are 2 hydrogen bond acceptors in 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl.
The rotatable bond count in 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl is 5.
Yes, 2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl is a canonicalized compound in PubChem.