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3,5-diiodobenzonitrile

3,5-diiodobenzonitrile

CAS: 289039-52-7

Formula: C7H3I2N

SMILES: IC1=CC(=CC(I)=C1)C#N

IUPAC: 3,5-diiodobenzonitrile

InChI: InChI=1S/C7H3I2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

Composition: C (23.69%), H (0.85%), I (71.51%), N (3.95%)

Molar Mass: 354.917

Atom Count: 13

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 354.83549
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey REFGPPPOXDYZBH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.5
Topological Polar Surface Area 23.79
Polarizability 22.82
Ring Count 1
Rotatable Bond Count 0

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95% <5 Days 289039-52-7 $830.00$830.00
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90% <16 Days 289039-52-7 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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