4-iodo-2-methoxybenzonitrile

4-iodo-2-methoxybenzonitrile

CAS: 677777-44-5

Formula: C8H6INO

SMILES: COC1=C(C=CC(I)=C1)C#N

IUPAC: 4-iodo-2-methoxybenzonitrile

InChI: InChI=1S/C8H6INO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3

Composition: C (37.09%), H (2.33%), I (48.99%), N (5.41%), O (6.18%)

Molar Mass: 259.046

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.94941
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JIICJFZGXGZQNE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.61
Topological Polar Surface Area	33.02
Polarizability	19.88
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	677777-44-5		$258.75-$759.00$258.75$373.75$759.00