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3-chloro-2-{[7-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine

3-chloro-2-{[7-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine

CAS: 251096-58-9

Formula: C17H8Cl2F3N5S

SMILES: FC(F)(F)C1=CC(Cl)=C(SC2=NN3C(=N2)N=CC=C3C2=CC=C(Cl)C=C2)N=C1

IUPAC: 3-chloro-2-{[7-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C17H8Cl2F3N5S/c18-11-3-1-9(2-4-11)13-5-6-23-15-25-16(26-27(13)15)28-14-12(19)7-10(8-24-14)17(20,21)22/h1-8H

Composition: C (46.17%), H (1.82%), Cl (16.03%), F (12.89%), N (15.84%), S (7.25%)

Molar Mass: 442.24

Atom Count: 36

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 440.9829563
Formal Charge 0
FSP3 0.06
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey JLLFVMCZYYQSHT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 114.99
Topological Polar Surface Area 55.97
Polarizability 39.14
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 251096-58-9 $51.35-$86.31$51.35$63.37$86.31
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