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1001070-23-0 | 1H-Pyrrolo[2,3-b]pyridine, 6-bromo-1-(phenylsulfonyl)-
CAS No: 1001070-23-0 Catalog No: AG0000YC MDL No:
Product Description
Catalog Number:
AG0000YC
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-bromo-1-(phenylsulfonyl)-
CAS Number:
1001070-23-0
Molecular Formula:
C13H9BrN2O2S
Molecular Weight:
337.1918
IUPAC Name:
1-(benzenesulfonyl)-6-bromopyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H9BrN2O2S/c14-12-7-6-10-8-9-16(13(10)15-12)19(17,18)11-4-2-1-3-5-11/h1-9H
InChI Key:
RCCRLERZFDSBII-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(n1)n(cc2)S(=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:
335.957g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.191g/mol
Monoisotopic Mass:
335.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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