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116579-34-1 | Pyridine, 2-(4-chlorophenyl)-4-(methylthio)-6-[3-(trifluoromethyl)phenyl]-
CAS No: 116579-34-1 Catalog No: AG000CTV MDL No:
Product Description
Catalog Number:
AG000CTV
Chemical Name:
Pyridine, 2-(4-chlorophenyl)-4-(methylthio)-6-[3-(trifluoromethyl)phenyl]-
CAS Number:
116579-34-1
Molecular Formula:
C19H13ClF3NS
Molecular Weight:
379.8264
IUPAC Name:
2-(4-chlorophenyl)-4-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridine
InChI:
InChI=1S/C19H13ClF3NS/c1-25-16-10-17(12-5-7-15(20)8-6-12)24-18(11-16)13-3-2-4-14(9-13)19(21,22)23/h2-11H,1H3
InChI Key:
MCRYCNUSVFPEMQ-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1cccc(c1)C(F)(F)F)c1ccc(cc1)Cl
Properties
Complexity:
425
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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