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Home > Bromides > 1227270-91-8
1227270-91-8 | 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-2,6-dimethyl-1-(phenylsulfonyl)-
CAS No: 1227270-91-8 Catalog No: AG000J7V MDL No:
Product Description
Catalog Number:
AG000J7V
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-2,6-dimethyl-1-(phenylsulfonyl)-
CAS Number:
1227270-91-8
Molecular Formula:
C15H13BrN2O2S
Molecular Weight:
365.2449
IUPAC Name:
1-(benzenesulfonyl)-5-bromo-2,6-dimethylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C15H13BrN2O2S/c1-10-8-12-9-14(16)11(2)17-15(12)18(10)21(19,20)13-6-4-3-5-7-13/h3-9H,1-2H3
InChI Key:
ADKXOBKQORONQO-UHFFFAOYSA-N
SMILES:
Brc1cc2cc(n(c2nc1C)S(=O)(=O)c1ccccc1)C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.988g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.245g/mol
Monoisotopic Mass:
363.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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