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1227270-28-1 | 1H-Pyrrolo[2,3-b]pyridine, 6-bromo-5-methoxy-1-(phenylsulfonyl)-
CAS No: 1227270-28-1 Catalog No: AG000J5H MDL No:
Product Description
Catalog Number:
AG000J5H
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-bromo-5-methoxy-1-(phenylsulfonyl)-
CAS Number:
1227270-28-1
Molecular Formula:
C14H11BrN2O3S
Molecular Weight:
367.2177
IUPAC Name:
1-(benzenesulfonyl)-6-bromo-5-methoxypyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11BrN2O3S/c1-20-12-9-10-7-8-17(14(10)16-13(12)15)21(18,19)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
IIMYGKCIQJTKRH-UHFFFAOYSA-N
SMILES:
COc1cc2ccn(c2nc1Br)S(=O)(=O)c1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.967g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.217g/mol
Monoisotopic Mass:
365.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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