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3-chloro-2-{[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-5-(trifluoromethyl)pyridine

3-chloro-2-{[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-5-(trifluoromethyl)pyridine

CAS: 860788-54-1

Formula: C14H6Cl2F6N4

SMILES: FC(F)(F)C1=CC(Cl)=C(CC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F)N=C1

IUPAC: 3-chloro-2-{[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C14H6Cl2F6N4/c15-8-1-6(13(17,18)19)4-23-10(8)3-11-24-25-12-9(16)2-7(5-26(11)12)14(20,21)22/h1-2,4-5H,3H2

Composition: C (40.51%), H (1.46%), Cl (17.08%), F (27.46%), N (13.50%)

Molar Mass: 415.12

Atom Count: 32

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 413.9873706
Formal Charge 0
FSP3 0.21
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey UAWBQEVWTGBHBL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.34
Topological Polar Surface Area 43.08
Polarizability 29.59
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860788-54-1 $51.35-$86.31$51.35$63.37$86.31
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