4-chloro-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine

4-chloro-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine

CAS: 1780-80-9

Formula: C6H2ClF3N4

SMILES: FC(F)(F)C1=NC2=NNC=C2C(Cl)=N1

IUPAC: 4-chloro-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine

InChI: InChI=1S/C6H2ClF3N4/c7-3-2-1-11-14-4(2)13-5(12-3)6(8,9)10/h1H,(H,11,12,13,14)

Composition: C (32.38%), H (0.91%), Cl (15.93%), F (25.61%), N (25.17%)

Molar Mass: 222.56

Atom Count: 16

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	221.9920083
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SNIVBXKAXKSWQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.56
Topological Polar Surface Area	54.46
Polarizability	15.69
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	1780-80-9		$762.45-$1,438.65$762.45$1,438.65