3,5-diiodo-2-methoxybenzonitrile

3,5-diiodo-2-methoxybenzonitrile

CAS: 898731-72-1

Formula: C8H5I2NO

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

IUPAC: 3,5-diiodo-2-methoxybenzonitrile

InChI: InChI=1S/C8H5I2NO/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3H,1H3

Composition: C (24.96%), H (1.31%), I (65.93%), N (3.64%), O (4.16%)

Molar Mass: 384.943

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	384.84605
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CIUAETIYCHXSBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.97
Topological Polar Surface Area	33.02
Polarizability	25.39
Ring Count	1
Rotatable Bond Count	1

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