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

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

CAS: 1211522-68-7

Formula: C6H4Cl2N4

SMILES: CC1=NNC2=NC(Cl)=NC(Cl)=C12

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

InChI: InChI=1S/C6H4Cl2N4/c1-2-3-4(7)9-6(8)10-5(3)12-11-2/h1H3,(H,9,10,11,12)

Composition: C (35.50%), H (1.99%), Cl (34.92%), N (27.60%)

Molar Mass: 203.03

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 201.9813015
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WAVYWHRLGFPXMJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.65
Topological Polar Surface Area 54.46
Polarizability 18.02
Ring Count 2
Rotatable Bond Count 0

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