3-iodo-1H-indole-2-carbonitrile

3-iodo-1H-indole-2-carbonitrile

CAS: 51796-65-7

Formula: C9H5IN2

SMILES: IC1=C(NC2=CC=CC=C12)C#N

IUPAC: 3-iodo-1H-indole-2-carbonitrile

InChI: InChI=1S/C9H5IN2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,12H

Composition: C (40.33%), H (1.88%), I (47.34%), N (10.45%)

Molar Mass: 268.057

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	267.94974
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	LZEVAWNETZNAGR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.11
Topological Polar Surface Area	39.58
Polarizability	22.41
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	51796-65-7		$51.35-$449.02$51.35$63.37$86.31$292.79$449.02