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

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

CAS: 477885-63-5

Formula: C19H10Cl2F3N5S

SMILES: FC(F)(F)C1=CC(Cl)=C(SC2=NN3C(=N2)N=CC=C3C=CC2=CC=C(Cl)C=C2)N=C1

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

InChI: InChI=1S/C19H10Cl2F3N5S/c20-13-4-1-11(2-5-13)3-6-14-7-8-25-17-27-18(28-29(14)17)30-16-15(21)9-12(10-26-16)19(22,23)24/h1-10H

Composition: C (48.73%), H (2.15%), Cl (15.14%), F (12.17%), N (14.96%), S (6.85%)

Molar Mass: 468.28

Atom Count: 40

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 466.9986064
Formal Charge 0
FSP3 0.05
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UQXKDWXNXRHDMA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 125.31
Topological Polar Surface Area 55.97
Polarizability 41.27
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477885-63-5 $51.35-$86.31$51.35$63.37$86.31
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