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N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)-2-(trifluoromethyl)benzamide

N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)-2-(trifluoromethyl)benzamide

CAS: 338420-77-2

Formula: C20H11ClF6N2OS

SMILES: FC(F)(F)C1=CC(Cl)=C(SC2=C(NC(=O)C3=C(C=CC=C3)C(F)(F)F)C=CC=C2)N=C1

IUPAC: N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)-2-(trifluoromethyl)benzamide

InChI: InChI=1S/C20H11ClF6N2OS/c21-14-9-11(19(22,23)24)10-28-18(14)31-16-8-4-3-7-15(16)29-17(30)12-5-1-2-6-13(12)20(25,26)27/h1-10H,(H,29,30)

Composition: C (50.38%), H (2.33%), Cl (7.43%), F (23.91%), N (5.88%), O (3.36%), S (6.72%)

Molar Mass: 476.82

Atom Count: 42

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 476.0184808
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BSLSVHBSWVGNQC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 109.18
Topological Polar Surface Area 41.99
Polarizability 38.98
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338420-77-2 $51.35-$86.31$51.35$63.37$86.31
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