3,4,6-trichloro-1H-pyrazolo[3,4-d]pyrimidine

3,4,6-trichloro-1H-pyrazolo[3,4-d]pyrimidine

CAS: 1936344-23-8

Formula: C5HCl3N4

SMILES: ClC1=NNC2=NC(Cl)=NC(Cl)=C12

IUPAC: 3,4,6-trichloro-1H-pyrazolo[3,4-d]pyrimidine

InChI: InChI=1S/C5HCl3N4/c6-2-1-3(7)11-12-4(1)10-5(8)9-2/h(H,9,10,11,12)

Composition: C (26.88%), H (0.45%), Cl (47.60%), N (25.08%)

Molar Mass: 223.44

Atom Count: 13

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	221.9266791
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JIXOQQFGNQTINA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.92
Topological Polar Surface Area	54.46
Polarizability	18.34
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1936344-23-8		$99.62-$450.18$99.62$167.71$450.18