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Home > Pyridines > 182233-30-3
182233-30-3 | Pyridine, 5-methyl-2-(phenylsulfonyl)-
CAS No: 182233-30-3 Catalog No: AG0023HO MDL No:
Product Description
Catalog Number:
AG0023HO
Chemical Name:
Pyridine, 5-methyl-2-(phenylsulfonyl)-
CAS Number:
182233-30-3
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
2-(benzenesulfonyl)-5-methylpyridine
InChI:
InChI=1S/C12H11NO2S/c1-10-7-8-12(13-9-10)16(14,15)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
KHYGTXQRUMAZQW-UHFFFAOYSA-N
SMILES:
Cc1ccc(nc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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