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15784-39-1 | 1,1'-Biphenyl, 4-(2-phenylethynyl)-
CAS No: 15784-39-1 Catalog No: AG001PRI MDL No:
Product Description
Catalog Number:
AG001PRI
Chemical Name:
1,1'-Biphenyl, 4-(2-phenylethynyl)-
CAS Number:
15784-39-1
Molecular Formula:
C20H14
Molecular Weight:
254.3252
IUPAC Name:
1-phenyl-4-(2-phenylethynyl)benzene
InChI:
InChI=1S/C20H14/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)19-9-5-2-6-10-19/h1-10,13-16H
InChI Key:
ZISJRLFUNCQBBU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#Cc1ccc(cc1)c1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.332g/mol
Monoisotopic Mass:
254.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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