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5-iodo-2-methylbenzonitrile

5-iodo-2-methylbenzonitrile

CAS: 52107-68-3

Formula: C8H6IN

SMILES: CC1=C(C=C(I)C=C1)C#N

IUPAC: 5-iodo-2-methylbenzonitrile

InChI: InChI=1S/C8H6IN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3

Composition: C (39.53%), H (2.49%), I (52.21%), N (5.76%)

Molar Mass: 243.047

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 242.95449
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QPGQEWLZKVSLPK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.18
Topological Polar Surface Area 23.79
Polarizability 19.05
Ring Count 1
Rotatable Bond Count 0

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 52107-68-3 $1,140.00-$2,100.00$1,140.00$1,550.00$2,100.00
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Chemcia Scientific, LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 52107-68-3 $109.25-$184.00$109.25$184.00
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