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Home > Fluorides > 208761-60-8
208761-60-8 | Ethanesulfonic acid, 2,2,2-trifluoro-, methyl ester
CAS No: 208761-60-8 Catalog No: AG002JW0 MDL No:
Product Description
Catalog Number:
AG002JW0
Chemical Name:
Ethanesulfonic acid, 2,2,2-trifluoro-, methyl ester
CAS Number:
208761-60-8
Molecular Formula:
C3H5F3O3S
Molecular Weight:
178.1302
IUPAC Name:
methyl 2,2,2-trifluoroethanesulfonate
InChI:
InChI=1S/C3H5F3O3S/c1-9-10(7,8)2-3(4,5)6/h2H2,1H3
InChI Key:
IDJNSFGQKLOZOW-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)CC(F)(F)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.125g/mol
Monoisotopic Mass:
177.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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