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26002-56-2 | Propanoic acid, 2-methyl-2-[4-[(trifluoromethyl)thio]phenoxy]-, ethyl ester
CAS No: 26002-56-2 Catalog No: AG002RD9 MDL No:
Product Description
Catalog Number:
AG002RD9
Chemical Name:
Propanoic acid, 2-methyl-2-[4-[(trifluoromethyl)thio]phenoxy]-, ethyl ester
CAS Number:
26002-56-2
Molecular Formula:
C13H15F3O3S
Molecular Weight:
308.3166
IUPAC Name:
ethyl 2-methyl-2-[4-(trifluoromethylsulfanyl)phenoxy]propanoate
InChI:
InChI=1S/C13H15F3O3S/c1-4-18-11(17)12(2,3)19-9-5-7-10(8-6-9)20-13(14,15)16/h5-8H,4H2,1-3H3
InChI Key:
GWBHFBZFSWBXTD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)SC(F)(F)F)(C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.315g/mol
Monoisotopic Mass:
308.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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