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88965-65-5 | Pyridine, 5-bromo-2-[[(2,6-difluorophenyl)methyl]sulfinyl]-, 1-oxide
CAS No: 88965-65-5 Catalog No: AG0045WT MDL No:
Product Description
Catalog Number:
AG0045WT
Chemical Name:
Pyridine, 5-bromo-2-[[(2,6-difluorophenyl)methyl]sulfinyl]-, 1-oxide
CAS Number:
88965-65-5
Molecular Formula:
C12H8BrF2NO2S
Molecular Weight:
348.1632
IUPAC Name:
5-bromo-2-[(2,6-difluorophenyl)methylsulfinyl]-1-oxidopyridin-1-ium
InChI:
InChI=1S/C12H8BrF2NO2S/c13-8-4-5-12(16(17)6-8)19(18)7-9-10(14)2-1-3-11(9)15/h1-6H,7H2
InChI Key:
HYFQEXUQLHYARA-UHFFFAOYSA-N
SMILES:
Brc1ccc([n+](c1)[O-])S(=O)Cc1c(F)cccc1F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.943g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.162g/mol
Monoisotopic Mass:
346.943g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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