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26133-20-0 | Propanoic acid, 2-methyl-2-[4-[(trifluoromethyl)sulfonyl]phenoxy]-, ethyl ester
CAS No: 26133-20-0 Catalog No: AG002RT4 MDL No:
Product Description
Catalog Number:
AG002RT4
Chemical Name:
Propanoic acid, 2-methyl-2-[4-[(trifluoromethyl)sulfonyl]phenoxy]-, ethyl ester
CAS Number:
26133-20-0
Molecular Formula:
C13H15F3O5S
Molecular Weight:
340.3154
IUPAC Name:
ethyl 2-methyl-2-[4-(trifluoromethylsulfonyl)phenoxy]propanoate
InChI:
InChI=1S/C13H15F3O5S/c1-4-20-11(17)12(2,3)21-9-5-7-10(8-6-9)22(18,19)13(14,15)16/h5-8H,4H2,1-3H3
InChI Key:
SOEMGZMZNINGPN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)S(=O)(=O)C(F)(F)F)(C)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.313g/mol
Monoisotopic Mass:
340.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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