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Home > Fluorides > 1446016-74-5
1446016-74-5 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-fluoro-3-methylphenyl ester
CAS No: 1446016-74-5 Catalog No: AG001JTZ MDL No:
Product Description
Catalog Number:
AG001JTZ
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-fluoro-3-methylphenyl ester
CAS Number:
1446016-74-5
Molecular Formula:
C8H6F4O3S
Molecular Weight:
258.1901
IUPAC Name:
(2-fluoro-3-methylphenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C8H6F4O3S/c1-5-3-2-4-6(7(5)9)15-16(13,14)8(10,11)12/h2-4H,1H3
InChI Key:
UFIQHMGAZWBWJA-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)Oc1cccc(c1F)C)(F)F
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.187g/mol
Monoisotopic Mass:
257.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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