3-iodo-1H-indazole-6-carbonitrile

3-iodo-1H-indazole-6-carbonitrile

CAS: 906000-39-3

Formula: C8H4IN3

SMILES: IC1=NNC2=CC(=CC=C12)C#N

IUPAC: 3-iodo-1H-indazole-6-carbonitrile

InChI: InChI=1S/C8H4IN3/c9-8-6-2-1-5(4-10)3-7(6)11-12-8/h1-3H,(H,11,12)

Composition: C (35.71%), H (1.50%), I (47.17%), N (15.62%)

Molar Mass: 269.045

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	268.94499
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FRYOUXROKRKPQP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.87
Topological Polar Surface Area	52.47
Polarizability	21.67
Ring Count	2
Rotatable Bond Count	0

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	906000-39-3		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70