3-chloro-2-iodobenzonitrile

3-chloro-2-iodobenzonitrile

CAS: 1239493-20-9

Formula: C7H3ClIN

SMILES: ClC1=C(I)C(=CC=C1)C#N

IUPAC: 3-chloro-2-iodobenzonitrile

InChI: InChI=1S/C7H3ClIN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H

Composition: C (31.91%), H (1.15%), Cl (13.46%), I (48.17%), N (5.32%)

Molar Mass: 263.46

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.89987
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LRKGKRCXVFYLOP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.95
Topological Polar Surface Area	23.79
Polarizability	19.33
Ring Count	1
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1239493-20-9		$46.66-$129.88$46.66$52.96$129.88