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88965-58-6 | Pyridine, 5-chloro-2-[[(2,6-difluorophenyl)methyl]thio]-, 1-oxide
CAS No: 88965-58-6 Catalog No: AG0047HG MDL No:
Product Description
Catalog Number:
AG0047HG
Chemical Name:
Pyridine, 5-chloro-2-[[(2,6-difluorophenyl)methyl]thio]-, 1-oxide
CAS Number:
88965-58-6
Molecular Formula:
C12H8ClF2NOS
Molecular Weight:
287.7128
IUPAC Name:
5-chloro-2-[(2,6-difluorophenyl)methylsulfanyl]-1-oxidopyridin-1-ium
InChI:
InChI=1S/C12H8ClF2NOS/c13-8-4-5-12(16(17)6-8)18-7-9-10(14)2-1-3-11(9)15/h1-6H,7H2
InChI Key:
ITRMYIQCNSANKZ-UHFFFAOYSA-N
SMILES:
Clc1ccc([n+](c1)[O-])SCc1c(F)cccc1F
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.709g/mol
Monoisotopic Mass:
286.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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