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Home > Bromides > 1417421-99-8
1417421-99-8 | 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-5-fluoro-1-[(4-methylphenyl)sulfonyl]-
CAS No: 1417421-99-8 Catalog No: AG001GYX MDL No:
Product Description
Catalog Number:
AG001GYX
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-bromo-5-fluoro-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
1417421-99-8
Molecular Formula:
C14H10BrFN2O2S
Molecular Weight:
369.2088
IUPAC Name:
3-bromo-5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H10BrFN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(15)12-6-10(16)7-17-14(12)18/h2-8H,1H3
InChI Key:
XAAFAPOSALSONG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ncc(c2)F)Br
EC Number:
821-180-4
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.963g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.208g/mol
Monoisotopic Mass:
367.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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