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Home > Fluorides > 116610-67-4
116610-67-4 | Pyridine, 4-(methylthio)-2-phenyl-6-[3-(trifluoromethyl)phenyl]-
CAS No: 116610-67-4 Catalog No: AG000CVW MDL No:
Product Description
Catalog Number:
AG000CVW
Chemical Name:
Pyridine, 4-(methylthio)-2-phenyl-6-[3-(trifluoromethyl)phenyl]-
CAS Number:
116610-67-4
Molecular Formula:
C19H14F3NS
Molecular Weight:
345.3814
IUPAC Name:
4-methylsulfanyl-2-phenyl-6-[3-(trifluoromethyl)phenyl]pyridine
InChI:
InChI=1S/C19H14F3NS/c1-24-16-11-17(13-6-3-2-4-7-13)23-18(12-16)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3
InChI Key:
NLBSBEQNFCIERU-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1ccccc1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.08g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.383g/mol
Monoisotopic Mass:
345.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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