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6-(2,5-dichlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2,5-dichlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C10H3Cl2F3N4S

SMILES: FC(F)(F)C1=NN=C2SC(=NN12)C1=CC(Cl)=CC=C1Cl

IUPAC: 6-(2,5-dichlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C10H3Cl2F3N4S/c11-4-1-2-6(12)5(3-4)7-18-19-8(10(13,14)15)16-17-9(19)20-7/h1-3H

Composition: C (35.42%), H (0.89%), Cl (20.91%), F (16.81%), N (16.52%), S (9.45%)

Molar Mass: 339.12

Atom Count: 23

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 337.9407572
Formal Charge 0
FSP3 0.1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ASPJNZLKQDEHMN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.99
Topological Polar Surface Area 43.08
Polarizability 25.8
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C10H3Cl2F3N4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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