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116610-63-0 | Pyridine, 2-(2-bromophenyl)-4-(methylthio)-6-phenyl-
CAS No: 116610-63-0 Catalog No: AG000CUO MDL No:
Product Description
Catalog Number:
AG000CUO
Chemical Name:
Pyridine, 2-(2-bromophenyl)-4-(methylthio)-6-phenyl-
CAS Number:
116610-63-0
Molecular Formula:
C18H14BrNS
Molecular Weight:
356.2795
IUPAC Name:
2-(2-bromophenyl)-4-methylsulfanyl-6-phenylpyridine
InChI:
InChI=1S/C18H14BrNS/c1-21-14-11-17(13-7-3-2-4-8-13)20-18(12-14)15-9-5-6-10-16(15)19/h2-12H,1H3
InChI Key:
NSSVNTAZBLPJHD-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(c1)c1ccccc1Br)c1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.003g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.281g/mol
Monoisotopic Mass:
355.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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