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Home > Pyridines > 1227266-91-2
1227266-91-2 | 1H-Pyrrolo[2,3-b]pyridine, 2,6-dimethyl-1-(phenylsulfonyl)-
CAS No: 1227266-91-2 Catalog No: AG000J29 MDL No:
Product Description
Catalog Number:
AG000J29
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2,6-dimethyl-1-(phenylsulfonyl)-
CAS Number:
1227266-91-2
Molecular Formula:
C15H14N2O2S
Molecular Weight:
286.3489
IUPAC Name:
1-(benzenesulfonyl)-2,6-dimethylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C15H14N2O2S/c1-11-8-9-13-10-12(2)17(15(13)16-11)20(18,19)14-6-4-3-5-7-14/h3-10H,1-2H3
InChI Key:
XTZIQYYNXQBKRH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)n(c(c2)C)S(=O)(=O)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.349g/mol
Monoisotopic Mass:
286.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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