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1443309-70-3 | Ethyl 2-(3,4,5-trifluorophenyl)sulfanyl-2-oxo-acetate
CAS No: 1443309-70-3 Catalog No: AG01F8AQ MDL No:
Product Description
Catalog Number:
AG01F8AQ
Chemical Name:
Ethyl 2-(3,4,5-trifluorophenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443309-70-3
Molecular Formula:
C10H7F3O3S
Molecular Weight:
264.2210
IUPAC Name:
ethyl 2-oxo-2-(3,4,5-trifluorophenyl)sulfanylacetate
InChI:
InChI=1S/C10H7F3O3S/c1-2-16-9(14)10(15)17-5-3-6(11)8(13)7(12)4-5/h3-4H,2H2,1H3
InChI Key:
VNYDUCGFEFAHOO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1cc(F)c(c(c1)F)F
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.218g/mol
Monoisotopic Mass:
264.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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