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Home > Bromides > 1227268-83-8
1227268-83-8 | 1H-Pyrrolo[2,3-b]pyridine, 2-bromo-5-methyl-1-(phenylsulfonyl)-
CAS No: 1227268-83-8 Catalog No: AG000J3B MDL No:
Product Description
Catalog Number:
AG000J3B
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-bromo-5-methyl-1-(phenylsulfonyl)-
CAS Number:
1227268-83-8
Molecular Formula:
C14H11BrN2O2S
Molecular Weight:
351.2183
IUPAC Name:
1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11BrN2O2S/c1-10-7-11-8-13(15)17(14(11)16-9-10)20(18,19)12-5-3-2-4-6-12/h2-9H,1H3
InChI Key:
WOOPPHUKKJYYLF-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)cc(n2S(=O)(=O)c1ccccc1)Br
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:
3.9
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