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3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(4-chlorophenyl)prop-2-en-1-one

3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(4-chlorophenyl)prop-2-en-1-one

CAS: 288270-43-9

Formula: C15H8Cl2F3NOS

SMILES: FC(F)(F)C1=CC(Cl)=C(SC=CC(=O)C2=CC=C(Cl)C=C2)N=C1

IUPAC: 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(4-chlorophenyl)prop-2-en-1-one

InChI: InChI=1S/C15H8Cl2F3NOS/c16-11-3-1-9(2-4-11)13(22)5-6-23-14-12(17)7-10(8-21-14)15(18,19)20/h1-8H

Composition: C (47.64%), H (2.13%), Cl (18.75%), F (15.07%), N (3.70%), O (4.23%), S (8.48%)

Molar Mass: 378.19

Atom Count: 31

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 376.9655749
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QHZJPUADIYYWMJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 87.62
Topological Polar Surface Area 29.96
Polarizability 32.39
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 288270-43-9 $51.35-$524.40$51.35$63.37$86.31$524.40
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