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1227270-21-4 | 1H-Pyrrolo[3,2-b]pyridine, 2-iodo-1-(phenylsulfonyl)-
CAS No: 1227270-21-4 Catalog No: AG000J5O MDL No:
Product Description
Catalog Number:
AG000J5O
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 2-iodo-1-(phenylsulfonyl)-
CAS Number:
1227270-21-4
Molecular Formula:
C13H9IN2O2S
Molecular Weight:
384.1922
IUPAC Name:
1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C13H9IN2O2S/c14-13-9-11-12(7-4-8-15-11)16(13)19(17,18)10-5-2-1-3-6-10/h1-9H
InChI Key:
JHCZBNBLVCAJHA-UHFFFAOYSA-N
SMILES:
Ic1cc2c(n1S(=O)(=O)c1ccccc1)cccn2
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:
2.9
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