Home Sulfos ethyl 4,4,4-trifluoro-3-sulfobutanoate

ethyl 4,4,4-trifluoro-3-sulfobutanoate

CAS No.:
1803598-32-4
Catalog Number:
AG01BA7G
Molecular Formula:
C6H8ClF3O4S
Molecular Weight:
268.6385
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Product Description
Catalog Number:
AG01BA7G
Chemical Name:
ethyl 4,4,4-trifluoro-3-sulfobutanoate
CAS Number:
1803598-32-4
Molecular Formula:
C6H8ClF3O4S
Molecular Weight:
268.6385
MDL Number:
MFCD28397543
IUPAC Name:
ethyl 3-chlorosulfonyl-4,4,4-trifluorobutanoate
InChI:
InChI=1S/C6H8ClF3O4S/c1-2-14-5(11)3-4(6(8,9)10)15(7,12)13/h4H,2-3H2,1H3
InChI Key:
SBPCUYHLMPLYAI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(S(=O)(=O)Cl)C(F)(F)F
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.978g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.631g/mol
Monoisotopic Mass:
267.978g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties