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4'-tert-butyl-[1,1'-biphenyl]-3-carbonitrile

4'-tert-butyl-[1,1'-biphenyl]-3-carbonitrile

CAS: 192699-50-6

Formula: C17H17N

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

IUPAC: 4'-tert-butyl-[1,1'-biphenyl]-3-carbonitrile

InChI: InChI=1S/C17H17N/c1-17(2,3)16-9-7-14(8-10-16)15-6-4-5-13(11-15)12-18/h4-11H,1-3H3

Composition: C (86.77%), H (7.28%), N (5.95%)

Molar Mass: 235.33

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 235.136099551
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HKVFGNZQHQXHDZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 75.58
Topological Polar Surface Area 23.79
Polarizability 30.56
Ring Count 2
Rotatable Bond Count 2

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Purity (%)
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Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 192699-50-6 $409.40-$1,386.90$409.40$1,386.90
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