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4'-hydroxy-3'-iodo-[1,1'-biphenyl]-4-carbonitrile

4'-hydroxy-3'-iodo-[1,1'-biphenyl]-4-carbonitrile

CAS: 460746-47-8

Formula: C13H8INO

SMILES: OC1=CC=C(C=C1I)C1=CC=C(C=C1)C#N

IUPAC: 4'-hydroxy-3'-iodo-[1,1'-biphenyl]-4-carbonitrile

InChI: InChI=1S/C13H8INO/c14-12-7-11(5-6-13(12)16)10-3-1-9(8-15)2-4-10/h1-7,16H

Composition: C (48.62%), H (2.51%), I (39.52%), N (4.36%), O (4.98%)

Molar Mass: 321.117

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 320.96506
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GGJLASJZXUIMAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.26
Topological Polar Surface Area 44.02
Polarizability 28.68
Ring Count 2
Rotatable Bond Count 1

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95% <5 Days 460746-47-8 $22.70-$192.93$22.70$63.05$192.93
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