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1227269-06-8 | 1H-Pyrrolo[2,3-b]pyridine, 2-iodo-6-methyl-1-(phenylsulfonyl)-
CAS No: 1227269-06-8 Catalog No: AG000J44 MDL No:
Product Description
Catalog Number:
AG000J44
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-iodo-6-methyl-1-(phenylsulfonyl)-
CAS Number:
1227269-06-8
Molecular Formula:
C14H11IN2O2S
Molecular Weight:
398.2188
IUPAC Name:
1-(benzenesulfonyl)-2-iodo-6-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11IN2O2S/c1-10-7-8-11-9-13(15)17(14(11)16-10)20(18,19)12-5-3-2-4-6-12/h2-9H,1H3
InChI Key:
MBRWVGCGQGNVEX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)n(c(c2)I)S(=O)(=O)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.959g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.218g/mol
Monoisotopic Mass:
397.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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