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13203-60-6 | Benzene, 1,2-bis(2-phenylethynyl)-
CAS No: 13203-60-6 Catalog No: AG00103P MDL No:
Product Description
Catalog Number:
AG00103P
Chemical Name:
Benzene, 1,2-bis(2-phenylethynyl)-
CAS Number:
13203-60-6
Molecular Formula:
C22H14
Molecular Weight:
278.3466
IUPAC Name:
1,2-bis(2-phenylethynyl)benzene
InChI:
InChI=1S/C22H14/c1-3-9-19(10-4-1)15-17-21-13-7-8-14-22(21)18-16-20-11-5-2-6-12-20/h1-14H
InChI Key:
XOJSMLDMLXWRMT-UHFFFAOYSA-N
SMILES:
c1ccc(c(c1)C#Cc1ccccc1)C#Cc1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.354g/mol
Monoisotopic Mass:
278.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Literature
| Title | Journal |
|---|---|
| Thermal C1-C5 diradical cyclization of enediynes. | Journal of the American Chemical Society 20081015 |
| Bergman cyclization of sterically hindered substrates and observation of phenyl-shifted products. | Journal of the American Chemical Society 20050720 |
| In situ EPR spectroscopy of aromatic diyne cyclopolymerization. | The Journal of organic chemistry 20040903 |
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