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4-Cyano-4'-butylbiphenyl

Catalog Number
ACM52709838-1
CAS Number
52709-83-8
Product Name
4-Cyano-4'-butylbiphenyl
Structure
Category
Liquid Crystal (LC) Materials
IUPAC Name
4-(4-butylphenyl)benzonitrile
Molecular Weight
235.32g/mol
Molecular Formula
C17H17N
Canonical SMILES
CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3
InChI Key
PJPLBHHDTUICNN-UHFFFAOYSA-N
Complexity
271
Covalently-Bonded Unit Count
1
EC Number
258-119-0
Exact Mass
235.1361g/mol
Formal Charge
0
Heavy Atom Count
18
Monoisotopic Mass
235.1361g/mol
Rotatable Bond Count
4
XLogP3
5.1
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