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1227270-17-8 | 1H-Pyrrolo[2,3-b]pyridine, 6-bromo-2-iodo-1-(phenylsulfonyl)-
CAS No: 1227270-17-8 Catalog No: AG000J5S MDL No:
Product Description
Catalog Number:
AG000J5S
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-bromo-2-iodo-1-(phenylsulfonyl)-
CAS Number:
1227270-17-8
Molecular Formula:
C13H8BrIN2O2S
Molecular Weight:
463.0883
IUPAC Name:
1-(benzenesulfonyl)-6-bromo-2-iodopyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H8BrIN2O2S/c14-11-7-6-9-8-12(15)17(13(9)16-11)20(18,19)10-4-2-1-3-5-10/h1-8H
InChI Key:
LQYPCJMGRFTHMW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(n1)n(c(c2)I)S(=O)(=O)c1ccccc1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.853g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.087g/mol
Monoisotopic Mass:
461.853g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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