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Home > Bromides > 1227270-76-9
1227270-76-9 | 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-4-methyl-1-(phenylsulfonyl)-
CAS No: 1227270-76-9 Catalog No: AG000J75 MDL No:
Product Description
Catalog Number:
AG000J75
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-4-methyl-1-(phenylsulfonyl)-
CAS Number:
1227270-76-9
Molecular Formula:
C14H11BrN2O2S
Molecular Weight:
351.2183
IUPAC Name:
1-(benzenesulfonyl)-5-bromo-4-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11BrN2O2S/c1-10-12-7-8-17(14(12)16-9-13(10)15)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
LUFFPMXIFMYQRD-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1C)ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.972g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.218g/mol
Monoisotopic Mass:
349.972g/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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