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1227269-34-2 | 1H-Pyrrolo[2,3-c]pyridine, 5-chloro-2-iodo-1-(phenylsulfonyl)-
CAS No: 1227269-34-2 Catalog No: AG000J4S MDL No:
Product Description
Catalog Number:
AG000J4S
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine, 5-chloro-2-iodo-1-(phenylsulfonyl)-
CAS Number:
1227269-34-2
Molecular Formula:
C13H8ClIN2O2S
Molecular Weight:
418.6373
IUPAC Name:
1-(benzenesulfonyl)-5-chloro-2-iodopyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C13H8ClIN2O2S/c14-12-6-9-7-13(15)17(11(9)8-16-12)20(18,19)10-4-2-1-3-5-10/h1-8H
InChI Key:
ATXHAEUMCLDVAQ-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)cc(n2S(=O)(=O)c1ccccc1)I
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.904g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.633g/mol
Monoisotopic Mass:
417.904g/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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