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Home > Pyridines > 1227269-45-5
1227269-45-5 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 1-(phenylsulfonyl)-
CAS No: 1227269-45-5 Catalog No: AG000J5X MDL No:
Product Description
Catalog Number:
AG000J5X
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 1-(phenylsulfonyl)-
CAS Number:
1227269-45-5
Molecular Formula:
C14H9N3O2S
Molecular Weight:
283.3052
IUPAC Name:
1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C14H9N3O2S/c15-10-11-6-8-16-14-13(11)7-9-17(14)20(18,19)12-4-2-1-3-5-12/h1-9H
InChI Key:
VRMPUNGIEUXWHM-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc2c1ccn2S(=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:
2.2
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