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2,3-dichloro-3-[(4-chlorophenyl)methanesulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide

2,3-dichloro-3-[(4-chlorophenyl)methanesulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide

CAS: 337922-27-7

Formula: C16H13Cl3N2O3S

SMILES: COC1=NC=C(NC(=O)C(Cl)=C(Cl)S(=O)CC2=CC=C(Cl)C=C2)C=C1

IUPAC: 2,3-dichloro-3-[(4-chlorophenyl)methanesulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide

InChI: InChI=1/C16H13Cl3N2O3S/c1-24-13-7-6-12(8-20-13)21-16(22)14(18)15(19)25(23)9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,21,22)

Composition: C (45.79%), H (3.12%), Cl (25.34%), N (6.67%), O (11.44%), S (7.64%)

Molar Mass: 419.7

Atom Count: 38

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 417.9712466
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YHPGXJXWMDNSDU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.22
Topological Polar Surface Area 68.29
Polarizability 39.17
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 337922-27-7 $51.35-$86.31$51.35$63.37$86.31
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