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3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile

3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile

CAS: 320420-51-7

Formula: C15H7Cl2F3N2

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

IUPAC: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile

InChI: InChI=1S/C15H7Cl2F3N2/c16-12-3-1-9(2-4-12)10(7-21)5-14-13(17)6-11(8-22-14)15(18,19)20/h1-6,8H

Composition: C (52.51%), H (2.06%), Cl (20.66%), F (16.61%), N (8.16%)

Molar Mass: 343.13

Atom Count: 29

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 341.9938381
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GWJMDWREXYPORP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 79.47
Topological Polar Surface Area 36.68
Polarizability 29.09
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 320420-51-7 $51.35-$524.40$51.35$63.37$86.31$524.40
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