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Home > Fluorides > 202923-79-3
202923-79-3 | Methanesulfonic acid, 1,1,1-trifluoro-, 1,2-dihydro-2-oxo-4-quinolinyl ester
CAS No: 202923-79-3 Catalog No: AG0028KS MDL No:
Product Description
Catalog Number:
AG0028KS
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 1,2-dihydro-2-oxo-4-quinolinyl ester
CAS Number:
202923-79-3
Molecular Formula:
C10H6F3NO4S
Molecular Weight:
293.2191
IUPAC Name:
(2-oxo-1H-quinolin-4-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C10H6F3NO4S/c11-10(12,13)19(16,17)18-8-5-9(15)14-7-4-2-1-3-6(7)8/h1-5H,(H,14,15)
InChI Key:
PUNNVGOTBBXCQD-UHFFFAOYSA-N
SMILES:
O=c1cc(OS(=O)(=O)C(F)(F)F)c2c([nH]1)cccc2
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.997g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.216g/mol
Monoisotopic Mass:
292.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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