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4-cyano-4'-pentylbiphenyl

4-cyano-4'-pentylbiphenyl

CAS: 40817-08-1

Formula: C18H19N

SMILES: CCCCCC1=CC=C(C=C1)C1=CC=C(C=C1)C#N

IUPAC: 4'-pentyl-[1,1'-biphenyl]-4-carbonitrile

InChI: InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3

Composition: C (86.70%), H (7.68%), N (5.62%)

Molar Mass: 249.357

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 249.151749616
Formal Charge 0
FSP3 0.28
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HHPCNRKYVYWYAU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 80.36
Topological Polar Surface Area 23.79
Polarizability 32.41
Ring Count 2
Rotatable Bond Count 5

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