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2-iodo-3-methylbenzonitrile

2-iodo-3-methylbenzonitrile

Formula: C8H6IN

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

IUPAC: 2-iodo-3-methylbenzonitrile

InChI: InChI=1S/C8H6IN/c1-6-3-2-4-7(5-10)8(6)9/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 VYCRRPBJJWSSTA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.18
Topological Polar Surface Area 23.79
Polarizability 19.06
Ring Count 1
Rotatable Bond Count 0

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97% <7 Days C8H6IN $194.48-$502.10$194.48$502.10
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