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3-{[(4-chlorophenyl)methyl]sulfanyl}-N-[(methoxyimino)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-{[(4-chlorophenyl)methyl]sulfanyl}-N-[(methoxyimino)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

CAS: 338407-46-8

Formula: C16H13ClF3N3O2S

SMILES: CON=CNC(=O)C1=C(SCC2=CC=C(Cl)C=C2)C=C(C=N1)C(F)(F)F

IUPAC: 3-{[(4-chlorophenyl)methyl]sulfanyl}-N-[(methoxyimino)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

InChI: InChI=1S/C16H13ClF3N3O2S/c1-25-23-9-22-15(24)14-13(6-11(7-21-14)16(18,19)20)26-8-10-2-4-12(17)5-3-10/h2-7,9H,8H2,1H3,(H,22,23,24)

Composition: C (47.59%), H (3.25%), Cl (8.78%), F (14.11%), N (10.41%), O (7.92%), S (7.94%)

Molar Mass: 403.8

Atom Count: 39

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 403.03691
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LRXVYNSOHJTDJS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.19
Topological Polar Surface Area 63.58
Polarizability 34.97
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338407-46-8 $51.35-$86.31$51.35$63.37$86.31
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