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

Catalog Number
ACM58743785-1
CAS Number
58743-78-5
Product Name
4-Ethoxy -[1,1'-biphenyl]-4'-carbonitrile
Structure
Category
Liquid Crystal (LC) Materials
IUPAC Name
4-(4-ethoxyphenyl)benzonitrile
Molecular Weight
223.27g/mol
Molecular Formula
C15H13NO
Canonical SMILES
CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H13NO/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-10H,2H2,1H3
InChI Key
VETJRGXWDLHERN-UHFFFAOYSA-N
Complexity
264
Covalently-Bonded Unit Count
1
EC Number
261-417-3
Exact Mass
223.099714g/mol
Formal Charge
0
Heavy Atom Count
17
Monoisotopic Mass
223.099714g/mol
Rotatable Bond Count
3
XLogP3
3.6
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