3-(2-iodobenzoyl)benzonitrile

3-(2-iodobenzoyl)benzonitrile

CAS: 890098-69-8

Formula: C14H8INO

SMILES: IC1=CC=CC=C1C(=O)C1=CC(=CC=C1)C#N

IUPAC: 3-(2-iodobenzoyl)benzonitrile

InChI: InChI=1S/C14H8INO/c15-13-7-2-1-6-12(13)14(17)11-5-3-4-10(8-11)9-16/h1-8H

Composition: C (50.48%), H (2.42%), I (38.09%), N (4.20%), O (4.80%)

Molar Mass: 333.128

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	332.96506
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GKGKJRXNVLJUFP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.72
Topological Polar Surface Area	40.86
Polarizability	28.84
Ring Count	2
Rotatable Bond Count	2

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