5-iodo-1H-indazole-3-carbonitrile

5-iodo-1H-indazole-3-carbonitrile

CAS: 885278-27-3

Formula: C8H4IN3

SMILES: IC1=CC=C2NN=C(C#N)C2=C1

IUPAC: 5-iodo-1H-indazole-3-carbonitrile

InChI: InChI=1S/C8H4IN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/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	URWUCPSDBLQGSH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.79
Topological Polar Surface Area	52.47
Polarizability	21.58
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	885278-27-3		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70