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1260827-62-0 | Benzenepropanoic acid, 3,4,5-trifluoro-β-oxo-, ethyl ester
CAS No: 1260827-62-0 Catalog No: AG000RE4 MDL No:
Product Description
Catalog Number:
AG000RE4
Chemical Name:
Benzenepropanoic acid, 3,4,5-trifluoro-β-oxo-, ethyl ester
CAS Number:
1260827-62-0
Molecular Formula:
C11H9F3O3
Molecular Weight:
246.1826
IUPAC Name:
ethyl 3-oxo-3-(3,4,5-trifluorophenyl)propanoate
InChI:
InChI=1S/C11H9F3O3/c1-2-17-10(16)5-9(15)6-3-7(12)11(14)8(13)4-6/h3-4H,2,5H2,1H3
InChI Key:
HDDANDASTDTXOU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.185g/mol
Monoisotopic Mass:
246.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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