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Home > Fluorides > 1310559-95-5
1310559-95-5 | Methanesulfonic acid, 1,1,1-trifluoro-, 5-fluoro-2-pyridinyl ester
CAS No: 1310559-95-5 Catalog No: AG000VGB MDL No:MFCD23135724
Product Description
Catalog Number:
AG000VGB
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 5-fluoro-2-pyridinyl ester
CAS Number:
1310559-95-5
Molecular Formula:
C6H3F4NO3S
Molecular Weight:
245.1515
MDL Number:
MFCD23135724
IUPAC Name:
(5-fluoropyridin-2-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C6H3F4NO3S/c7-4-1-2-5(11-3-4)14-15(12,13)6(8,9)10/h1-3H
InChI Key:
AGZLPEKIEDZQBF-UHFFFAOYSA-N
SMILES:
Fc1ccc(nc1)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.148g/mol
Monoisotopic Mass:
244.977g/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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