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3-(chloromethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

3-(chloromethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

CAS: 890095-69-9

Formula: C4H2ClF3N2O

SMILES: FC(F)(F)C1=NC(CCl)=NO1

IUPAC: 3-(chloromethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

InChI: InChI=1S/C4H2ClF3N2O/c5-1-2-9-3(11-10-2)4(6,7)8/h1H2

Composition: C (25.76%), H (1.08%), Cl (19.01%), F (30.56%), N (15.02%), O (8.58%)

Molar Mass: 186.52

Atom Count: 13

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.9807749
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UANFFSNPYKTHJF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.5
Topological Polar Surface Area 38.92
Polarizability 11.05
Ring Count 1
Rotatable Bond Count 2

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96% <2 Days 890095-69-9 $143.75-$2,290.80$143.75$171.35$227.70$343.85$572.70$2,290.80
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