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Home > Pyridines > 1227270-43-0
1227270-43-0 | 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 1-(phenylsulfonyl)-
CAS No: 1227270-43-0 Catalog No: AG000J6J MDL No:
Product Description
Catalog Number:
AG000J6J
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 1-(phenylsulfonyl)-
CAS Number:
1227270-43-0
Molecular Formula:
C14H9N3O2S
Molecular Weight:
283.3052
IUPAC Name:
1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C14H9N3O2S/c15-10-12-7-6-11-8-9-17(14(11)16-12)20(18,19)13-4-2-1-3-5-13/h1-9H
InChI Key:
FJXJFIFKDADEBO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)n(cc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.305g/mol
Monoisotopic Mass:
283.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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