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1227268-51-0 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 2-methyl-1-(phenylsulfonyl)-
CAS No: 1227268-51-0 Catalog No: AG000J2P MDL No:
Product Description
Catalog Number:
AG000J2P
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 2-methyl-1-(phenylsulfonyl)-
CAS Number:
1227268-51-0
Molecular Formula:
C15H11N3O2S
Molecular Weight:
297.3317
IUPAC Name:
1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C15H11N3O2S/c1-11-9-14-12(10-16)7-8-17-15(14)18(11)21(19,20)13-5-3-2-4-6-13/h2-9H,1H3
InChI Key:
ODRJCVOGODPHQY-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc2c1cc(n2S(=O)(=O)c1ccccc1)C
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.332g/mol
Monoisotopic Mass:
297.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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