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Home > Fluorides > 122135-96-0
122135-96-0 | 2-Butenoic acid, 3-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester, (2E)-
CAS No: 122135-96-0 Catalog No: AG0016U2 MDL No:
Product Description
Catalog Number:
AG0016U2
Chemical Name:
2-Butenoic acid, 3-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester, (2E)-
CAS Number:
122135-96-0
Molecular Formula:
C7H9F3O5S
Molecular Weight:
262.2036
IUPAC Name:
ethyl 3-(trifluoromethylsulfonyloxy)but-2-enoate
InChI:
InChI=1S/C7H9F3O5S/c1-3-14-6(11)4-5(2)15-16(12,13)7(8,9)10/h4H,3H2,1-2H3
InChI Key:
UZGNUZUZYRKGHA-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/OS(=O)(=O)C(F)(F)F)\C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.199g/mol
Monoisotopic Mass:
262.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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