5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyrazine

5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyrazine

CAS: 1204809-95-9

Formula: C5H2BrIN4

SMILES: BrC1=CN=C2NN=C(I)C2=N1

IUPAC: 5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyrazine

InChI: InChI=1S/C5H2BrIN4/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H,8,10,11)

Composition: C (18.48%), H (0.62%), Br (24.59%), I (39.06%), N (17.24%)

Molar Mass: 324.907

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	323.85075
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QKAKABOWOSANSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.88
Topological Polar Surface Area	54.46
Polarizability	20.85
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	1204809-95-9		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70