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180783-48-6 | Benzene, 1,3-dimethyl-2-(2-phenylethynyl)-
CAS No: 180783-48-6 Catalog No: AG0022CQ MDL No:
Product Description
Catalog Number:
AG0022CQ
Chemical Name:
Benzene, 1,3-dimethyl-2-(2-phenylethynyl)-
CAS Number:
180783-48-6
Molecular Formula:
C16H14
Molecular Weight:
206.2824
IUPAC Name:
1,3-dimethyl-2-(2-phenylethynyl)benzene
InChI:
InChI=1S/C16H14/c1-13-7-6-8-14(2)16(13)12-11-15-9-4-3-5-10-15/h3-10H,1-2H3
InChI Key:
DZWZTZPTYKJAIF-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C#Cc1ccccc1)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.288g/mol
Monoisotopic Mass:
206.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Mesityl alkyne substituents for control of regiochemistry and reversibility in zirconocene couplings: new synthetic strategies for unsymmetrical zirconacyclopentadienes and conjugated polymers. | Journal of the American Chemical Society 20090408 |
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