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4-Cyano-4'-propylbiphenyl

Catalog Number
ACM58743763-1
CAS Number
58743-76-3
Product Name
4-Cyano-4'-propylbiphenyl
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
IUPAC Name
4-(4-propylphenyl)benzonitrile
Molecular Weight
221.3g/mol
Molecular Formula
C16H15N
Canonical SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3
InChI Key
XFMPTZWVMVMELB-UHFFFAOYSA-N
Complexity
259
Covalently-Bonded Unit Count
1
EC Number
261-415-2
Exact Mass
221.120449g/mol
Formal Charge
0
Heavy Atom Count
17
Monoisotopic Mass
221.120449g/mol
Rotatable Bond Count
3
XLogP3
4.6
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