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1227268-94-1 | 1H-Pyrrolo[2,3-b]pyridine, 5-iodo-1-(phenylsulfonyl)-
CAS No: 1227268-94-1 Catalog No: AG000J4E MDL No:MFCD16875777
Product Description
Catalog Number:
AG000J4E
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-iodo-1-(phenylsulfonyl)-
CAS Number:
1227268-94-1
Molecular Formula:
C13H9IN2O2S
Molecular Weight:
384.1922
MDL Number:
MFCD16875777
IUPAC Name:
1-(benzenesulfonyl)-5-iodopyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H9IN2O2S/c14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12/h1-9H
InChI Key:
WXBJXZNURXJKAE-UHFFFAOYSA-N
SMILES:
Ic1cnc2c(c1)ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.943g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.191g/mol
Monoisotopic Mass:
383.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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