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116610-96-9 | Pyridine, 2-(2-chlorophenyl)-4-(methylthio)-6-[3-(trifluoromethyl)phenyl]-
CAS No: 116610-96-9 Catalog No: AG000CVK MDL No:
Product Description
Catalog Number:
AG000CVK
Chemical Name:
Pyridine, 2-(2-chlorophenyl)-4-(methylthio)-6-[3-(trifluoromethyl)phenyl]-
CAS Number:
116610-96-9
Molecular Formula:
C19H13ClF3NS
Molecular Weight:
379.8264
IUPAC Name:
2-(2-chlorophenyl)-4-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridine
InChI:
InChI=1S/C19H13ClF3NS/c1-25-14-10-17(12-5-4-6-13(9-12)19(21,22)23)24-18(11-14)15-7-2-3-8-16(15)20/h2-11H,1H3
InChI Key:
YETNARPLIOSEPM-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1ccccc1Cl)c1cccc(c1)C(F)(F)F
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.041g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.825g/mol
Monoisotopic Mass:
379.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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