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Home > Fluorides > 179260-78-7
179260-78-7 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-methyl-2-pyridinyl ester
CAS No: 179260-78-7 Catalog No: AG0026W7 MDL No:
Product Description
Catalog Number:
AG0026W7
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-methyl-2-pyridinyl ester
CAS Number:
179260-78-7
Molecular Formula:
C7H6F3NO3S
Molecular Weight:
241.1876
IUPAC Name:
(4-methylpyridin-2-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C7H6F3NO3S/c1-5-2-3-11-6(4-5)14-15(12,13)7(8,9)10/h2-4H,1H3
InChI Key:
AZUJRVRRUXHHDV-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)Oc1nccc(c1)C)(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:
2.3
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