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methyl 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}benzoate

methyl 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}benzoate

CAS: 385383-52-8

Formula: C14H9ClF3NO2S

SMILES: COC(=O)C1=C(SC2=C(Cl)C=C(C=N2)C(F)(F)F)C=CC=C1

IUPAC: methyl 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}benzoate

InChI: InChI=1S/C14H9ClF3NO2S/c1-21-13(20)9-4-2-3-5-11(9)22-12-10(15)6-8(7-19-12)14(16,17)18/h2-7H,1H3

Composition: C (48.36%), H (2.61%), Cl (10.19%), F (16.39%), N (4.03%), O (9.20%), S (9.22%)

Molar Mass: 347.74

Atom Count: 31

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 346.9994619
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZCZVFEXDWULTOG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 79.7
Topological Polar Surface Area 39.19
Polarizability 29.62
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 385383-52-8 $51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07
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