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116610-84-5 | Pyridine, 2-(4-bromophenyl)-6-(2-methylphenyl)-4-(methylthio)-
CAS No: 116610-84-5 Catalog No: AG000CVO MDL No:
Product Description
Catalog Number:
AG000CVO
Chemical Name:
Pyridine, 2-(4-bromophenyl)-6-(2-methylphenyl)-4-(methylthio)-
CAS Number:
116610-84-5
Molecular Formula:
C19H16BrNS
Molecular Weight:
370.3060
IUPAC Name:
2-(4-bromophenyl)-6-(2-methylphenyl)-4-methylsulfanylpyridine
InChI:
InChI=1S/C19H16BrNS/c1-13-5-3-4-6-17(13)19-12-16(22-2)11-18(21-19)14-7-9-15(20)10-8-14/h3-12H,1-2H3
InChI Key:
ALRYCIBETWWFHW-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1ccccc1C)c1ccc(cc1)Br
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.019g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.308g/mol
Monoisotopic Mass:
369.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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