2,6-Dimethylbiphenyl - CAS 3976-34-9
Catalog: |
BB067185 |
Product Name: |
2,6-Dimethylbiphenyl |
CAS: |
3976-34-9 |
Synonyms: |
2,6-Dimethyl-1,1'-biphenyl; 1,3-Dimethyl-2-phenylbenzene; 2,6-Dimethylbiphenyl; 2-Phenyl-m-xylene |
IUPAC Name: | 1,3-dimethyl-2-phenylbenzene |
Description: | 2,6-Dimethylbiphenyl acts as a reagent in the preparation of palladium catalyst for Suzuki-Miyaura cross-coupling reactions. |
Molecular Weight: | 182.26 |
Molecular Formula: | C14H14 |
Canonical SMILES: | CC1=C(C(=CC=C1)C)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H14/c1-11-7-6-8-12(2)14(11)13-9-4-3-5-10-13/h3-10H,1-2H3 |
InChI Key: | BGXRAGCQZCSMOT-UHFFFAOYSA-N |
References: | Wang, Z., et al. Green Chem., 17, 413 (2015); Guo, M., et al. Molecules, 19, 6524 (2014). |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.109550447 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.109550447 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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