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Home > Fluorides > 1446016-89-2
1446016-89-2 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-nitro-3-(trifluoromethyl)phenyl ester
CAS No: 1446016-89-2 Catalog No: AG001JTX MDL No:
Product Description
Catalog Number:
AG001JTX
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-nitro-3-(trifluoromethyl)phenyl ester
CAS Number:
1446016-89-2
Molecular Formula:
C8H3F6NO5S
Molecular Weight:
339.1685
IUPAC Name:
[4-nitro-3-(trifluoromethyl)phenyl] trifluoromethanesulfonate
InChI:
InChI=1S/C8H3F6NO5S/c9-7(10,11)5-3-4(1-2-6(5)15(16)17)20-21(18,19)8(12,13)14/h1-3H
InChI Key:
IRHRWQYWTAZINP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C(F)(F)F)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.964g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.164g/mol
Monoisotopic Mass:
338.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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