Home Sulfos methyl 2-trifluoromethanesulfonylacetate

methyl 2-trifluoromethanesulfonylacetate

CAS No.:
54049-36-4
Catalog Number:
AG01ACUI
Molecular Formula:
C4H5F3O4S
Molecular Weight:
206.1403
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Product Description
Catalog Number:
AG01ACUI
Chemical Name:
methyl 2-trifluoromethanesulfonylacetate
CAS Number:
54049-36-4
Molecular Formula:
C4H5F3O4S
Molecular Weight:
206.1403
MDL Number:
MFCD26936135
IUPAC Name:
methyl 2-(trifluoromethylsulfonyl)acetate
InChI:
InChI=1S/C4H5F3O4S/c1-11-3(8)2-12(9,10)4(5,6)7/h2H2,1H3
InChI Key:
CZFUPQHLLOKMST-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)(=O)C(F)(F)F
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.135g/mol
Monoisotopic Mass:
205.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties