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

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

Formula: C16H9Cl2FN4OS

SMILES: FC1=CC=C(OCC2=NN=C3SC(=NN23)C2=CC(Cl)=CC=C2Cl)C=C1

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

InChI: InChI=1S/C16H9Cl2FN4OS/c17-9-1-6-13(18)12(7-9)15-22-23-14(20-21-16(23)25-15)8-24-11-4-2-10(19)3-5-11/h1-7H,8H2

Composition: C (48.62%), H (2.30%), Cl (17.94%), F (4.81%), N (14.18%), O (4.05%), S (8.11%)

Molar Mass: 395.23

Atom Count: 34

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 393.9858157
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey IUXVDPBFWNPFQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 127.16
Topological Polar Surface Area 52.31
Polarizability 36.18
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H9Cl2FN4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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