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Home > Bromides > 1172067-98-9
1172067-98-9 | 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-4-fluoro-1-(phenylsulfonyl)-
CAS No: 1172067-98-9 Catalog No: AG000DXA MDL No:MFCD15529432
Product Description
Catalog Number:
AG000DXA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-4-fluoro-1-(phenylsulfonyl)-
CAS Number:
1172067-98-9
Molecular Formula:
C13H8BrFN2O2S
Molecular Weight:
355.1822
MDL Number:
MFCD15529432
IUPAC Name:
1-(benzenesulfonyl)-5-bromo-4-fluoropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H8BrFN2O2S/c14-11-8-16-13-10(12(11)15)6-7-17(13)20(18,19)9-4-2-1-3-5-9/h1-8H
InChI Key:
KJXUMHKQPPSEJB-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1F)ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.947g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.181g/mol
Monoisotopic Mass:
353.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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