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3-chloro-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

3-chloro-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

Formula: C16H12ClN3O2S

SMILES: COC1=CC=CC=C1C1=NN=C(NC(=O)C2=CC=CC(Cl)=C2)S1

IUPAC: 3-chloro-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

InChI: InChI=1S/C16H12ClN3O2S/c1-22-13-8-3-2-7-12(13)15-19-20-16(23-15)18-14(21)10-5-4-6-11(17)9-10/h2-9H,1H3,(H,18,20,21)

Composition: C (55.57%), H (3.50%), Cl (10.25%), N (12.15%), O (9.25%), S (9.27%)

Molar Mass: 345.8

Atom Count: 35

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 345.0338755
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KZYBDMZMUWBXMX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.77
Topological Polar Surface Area 64.11
Polarizability 34.56
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H12ClN3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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