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Home > Fluorides > 123172-90-7
123172-90-7 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-4-quinolinyl ester
CAS No: 123172-90-7 Catalog No: AG000K4W MDL No:
Product Description
Catalog Number:
AG000K4W
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-4-quinolinyl ester
CAS Number:
123172-90-7
Molecular Formula:
C11H8F3NO3S
Molecular Weight:
291.2463
IUPAC Name:
(2-methylquinolin-4-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C11H8F3NO3S/c1-7-6-10(18-19(16,17)11(12,13)14)8-4-2-3-5-9(8)15-7/h2-6H,1H3
InChI Key:
XEWBPFZVKPUNAR-UHFFFAOYSA-N
SMILES:
Cc1cc(OS(=O)(=O)C(F)(F)F)c2c(n1)cccc2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.244g/mol
Monoisotopic Mass:
291.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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