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Home > Fluorides > 122213-94-9
122213-94-9 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-3-pyridinyl ester
CAS No: 122213-94-9 Catalog No: AG0016XZ MDL No:
Product Description
Catalog Number:
AG0016XZ
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-3-pyridinyl ester
CAS Number:
122213-94-9
Molecular Formula:
C7H6F3NO3S
Molecular Weight:
241.1876
IUPAC Name:
(2-methylpyridin-3-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C7H6F3NO3S/c1-5-6(3-2-4-11-5)14-15(12,13)7(8,9)10/h2-4H,1H3
InChI Key:
CBJSABYRIWFVAQ-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)Oc1cccnc1C)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.184g/mol
Monoisotopic Mass:
241.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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