Home Sulfos 2-(2,2,2-trifluoroethanesulfonyl)acetic acid

2-(2,2,2-trifluoroethanesulfonyl)acetic acid

CAS No.:
57008-25-0
Catalog Number:
AG01AFWV
Molecular Formula:
C4H5F3O4S
Molecular Weight:
206.1403
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Product Description
Catalog Number:
AG01AFWV
Chemical Name:
2-(2,2,2-trifluoroethanesulfonyl)acetic acid
CAS Number:
57008-25-0
Molecular Formula:
C4H5F3O4S
Molecular Weight:
206.1403
MDL Number:
MFCD09931123
IUPAC Name:
2-(2,2,2-trifluoroethylsulfonyl)acetic acid
InChI:
InChI=1S/C4H5F3O4S/c5-4(6,7)2-12(10,11)1-3(8)9/h1-2H2,(H,8,9)
InChI Key:
FIULQBJUTSDMEI-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)CC(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:
1  
Isotope Atom Count:
0
Molecular Weight:
206.135g/mol
Monoisotopic Mass:
205.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties