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4-Butyl-4'-ethynyl-1,1'-biphenyl

Catalog Number
ACMA00016162
Product Name
4-Butyl-4'-ethynyl-1,1'-biphenyl
Category
Liquid Crystal (LC) Materials
IUPAC Name
1-butyl-4-(4-ethynylphenyl)benzene
Molecular Weight
234.3g/mol
Molecular Formula
C18H18
Canonical SMILES
CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C
InChI
InChI=1S/C18H18/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h2,7-14H,3,5-6H2,1H3
InChI Key
VCAFHMCSPWVSJS-UHFFFAOYSA-N
Complexity
266
Covalently-Bonded Unit Count
1
Exact Mass
234.140851g/mol
Formal Charge
0
Heavy Atom Count
18
Monoisotopic Mass
234.140851g/mol
Rotatable Bond Count
5
XLogP3
5.7
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