2-iodo-3-methoxybenzonitrile

2-iodo-3-methoxybenzonitrile

CAS: 490039-70-8

Formula: C8H6INO

SMILES: COC1=CC=CC(C#N)=C1I

IUPAC: 2-iodo-3-methoxybenzonitrile

InChI: InChI=1S/C8H6INO/c1-11-7-4-2-3-6(5-10)8(7)9/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	RHXZAKBIPOVXMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.61
Topological Polar Surface Area	33.02
Polarizability	19.9
Ring Count	1
Rotatable Bond Count	1

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95%	<5 Days	490039-70-8		$1,740.00-$2,020.00$1,740.00$2,020.00

Chemcia Scientific, LLC

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