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2-iodobenzonitrile

2-iodobenzonitrile

CAS: 4387-36-4

Formula: C7H4IN

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

IUPAC: 2-iodobenzonitrile

InChI: InChI=1S/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H

Composition: C (36.71%), H (1.76%), I (55.41%), N (6.12%)

Molar Mass: 229.02

Atom Count: 13

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.93884
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JDDAFHUEOVUDFJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.14
Topological Polar Surface Area 23.79
Polarizability 17.32
Ring Count 1
Rotatable Bond Count 0

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