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1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile

1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile

CAS: 2230803-78-6

Formula: C7H8INO

SMILES: ICC12CC(C1)(CO2)C#N

IUPAC: 1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile

InChI: InChI=1S/C7H8INO/c8-3-7-1-6(2-7,4-9)5-10-7/h1-3,5H2

Composition: C (33.76%), H (3.24%), I (50.96%), N (5.62%), O (6.42%)

Molar Mass: 249.051

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 248.96506
Formal Charge 0
FSP3 0.86
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NLOLKUSPFQNSJF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.68
Topological Polar Surface Area 33.02
Polarizability 17.92
Ring Count 2
Rotatable Bond Count 1

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