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6-chloro-2-(trifluoromethyl)-9H-purine

6-chloro-2-(trifluoromethyl)-9H-purine

Formula: C6H2ClF3N4

SMILES: FC(F)(F)C1=NC(Cl)=C2N=CNC2=N1

IUPAC: 6-chloro-2-(trifluoromethyl)-9H-purine

InChI: InChI=1S/C6H2ClF3N4/c7-3-2-4(12-1-11-2)14-5(13-3)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 GRFXWPMEDWAEMH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.09
Topological Polar Surface Area 54.46
Polarizability 15.7
Ring Count 2
Rotatable Bond Count 1

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97% <7 Days C6H2ClF3N4 $169.24-$1,324.90$169.24$402.05$1,324.90
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