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3-chloro-6-{[3-(trifluoromethyl)phenyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazine

3-chloro-6-{[3-(trifluoromethyl)phenyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazine

CAS: 303996-20-5

Formula: C12H6ClF3N4S

SMILES: FC(F)(F)C1=CC=CC(SC2=NN3C(Cl)=NN=C3C=C2)=C1

IUPAC: 3-chloro-6-{[3-(trifluoromethyl)phenyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazine

InChI: InChI=1S/C12H6ClF3N4S/c13-11-18-17-9-4-5-10(19-20(9)11)21-8-3-1-2-7(6-8)12(14,15)16/h1-6H

Composition: C (43.58%), H (1.83%), Cl (10.72%), F (17.23%), N (16.94%), S (9.69%)

Molar Mass: 330.71

Atom Count: 27

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 329.9953796
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey SRAFOBDDCXRZJA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.99
Topological Polar Surface Area 43.08
Polarizability 27.41
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 303996-20-5 $51.35-$86.31$51.35$63.37$86.31
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