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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-(methylsulfanyl)benzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-(methylsulfanyl)benzamide

Formula: C16H13ClF3NO2S

SMILES: COC1=CC(SC)=CC=C1C(=O)NC1=CC(=CC=C1Cl)C(F)(F)F

IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-(methylsulfanyl)benzamide

InChI: InChI=1S/C16H13ClF3NO2S/c1-23-14-8-10(24-2)4-5-11(14)15(22)21-13-7-9(16(18,19)20)3-6-12(13)17/h3-8H,1-2H3,(H,21,22)

Composition: C (51.14%), H (3.49%), Cl (9.43%), F (15.17%), N (3.73%), O (8.51%), S (8.53%)

Molar Mass: 375.79

Atom Count: 37

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 375.030762
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DQFXLXPFWCCROA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 91.59
Topological Polar Surface Area 38.33
Polarizability 33.37
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H13ClF3NO2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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