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1227268-52-1 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 2-iodo-6-methyl-1-(phenylsulfonyl)-
CAS No: 1227268-52-1 Catalog No: AG000J2O MDL No:
Product Description
Catalog Number:
AG000J2O
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 2-iodo-6-methyl-1-(phenylsulfonyl)-
CAS Number:
1227268-52-1
Molecular Formula:
C15H10IN3O2S
Molecular Weight:
423.2283
IUPAC Name:
1-(benzenesulfonyl)-2-iodo-6-methylpyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C15H10IN3O2S/c1-10-7-11(9-17)13-8-14(16)19(15(13)18-10)22(20,21)12-5-3-2-4-6-12/h2-8H,1H3
InChI Key:
HCKZKJWERWNGKJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)nc2c1cc(n2S(=O)(=O)c1ccccc1)I
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.954g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.228g/mol
Monoisotopic Mass:
422.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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