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4-Octyloxy-[1,1'-biphenyl]-4'-carbonitrile

Catalog Number
ACM52364735-1
Product Name
4-Octyloxy-[1,1'-biphenyl]-4'-carbonitrile
Structure
CAS
52364-73-5
Category
Liquid Crystal (LC) Materials
IUPAC Name
4-(4-octoxyphenyl)benzonitrile
Molecular Weight
307.4g/mol
Molecular Formula
C21H25NO
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3
InChIKey
GPGGNNIMKOVSAG-UHFFFAOYSA-N
EC Number
257-878-5
Status
0
Complexity
342
Formal Charge
0
Exact Mass
307.193614g/mol
Monoisotopic Mass
307.193614g/mol
XLogP3
6.7
Covalently-Bonded Unit Count
1
Heavy Atom Count
23
Rotatable Bond Count
9
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