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1227270-95-2 | 1H-Pyrrolo[2,3-b]pyridine, 2,5-diiodo-1-(phenylsulfonyl)-
CAS No: 1227270-95-2 Catalog No: AG000J7S MDL No:
Product Description
Catalog Number:
AG000J7S
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2,5-diiodo-1-(phenylsulfonyl)-
CAS Number:
1227270-95-2
Molecular Formula:
C13H8I2N2O2S
Molecular Weight:
510.0888
IUPAC Name:
1-(benzenesulfonyl)-2,5-diiodopyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H8I2N2O2S/c14-10-6-9-7-12(15)17(13(9)16-8-10)20(18,19)11-4-2-1-3-5-11/h1-8H
InChI Key:
GKLOCJJNUKWHLB-UHFFFAOYSA-N
SMILES:
Ic1cnc2c(c1)cc(n2S(=O)(=O)c1ccccc1)I
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.84g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
510.088g/mol
Monoisotopic Mass:
509.84g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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