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6-(2-chlorophenoxymethyl)-3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-chlorophenoxymethyl)-3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C16H10ClFN4OS

SMILES: FC1=CC=CC(=C1)C1=NN=C2SC(COC3=CC=CC=C3Cl)=NN12

IUPAC: 6-[(2-chlorophenoxy)methyl]-3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C16H10ClFN4OS/c17-12-6-1-2-7-13(12)23-9-14-21-22-15(19-20-16(22)24-14)10-4-3-5-11(18)8-10/h1-8H,9H2

Composition: C (53.27%), H (2.79%), Cl (9.83%), F (5.27%), N (15.53%), O (4.43%), S (8.89%)

Molar Mass: 360.79

Atom Count: 34

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 360.024788
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey VUDRVLJSNNRTOP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.35
Topological Polar Surface Area 52.31
Polarizability 34.25
Ring Count 4
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H10ClFN4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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