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88496-46-2 | Pyridine, 2-[(diphenylmethyl)sulfonyl]-4-methyl-, 1-oxide
CAS No: 88496-46-2 Catalog No: AG0049QA MDL No:
Product Description
Catalog Number:
AG0049QA
Chemical Name:
Pyridine, 2-[(diphenylmethyl)sulfonyl]-4-methyl-, 1-oxide
CAS Number:
88496-46-2
Molecular Formula:
C19H17NO3S
Molecular Weight:
339.4082
IUPAC Name:
2-benzhydrylsulfonyl-4-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C19H17NO3S/c1-15-12-13-20(21)18(14-15)24(22,23)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,1H3
InChI Key:
AFTNXOBYTGLUOR-UHFFFAOYSA-N
SMILES:
Cc1cc[n+](c(c1)S(=O)(=O)C(c1ccccc1)c1ccccc1)[O-]
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.409g/mol
Monoisotopic Mass:
339.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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