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Home > Fluorides > 1048916-57-9
1048916-57-9 | 3-Oxo-4-(2-trifluoromethyl-phenyl)-butyric acid ethyl ester
CAS No: 1048916-57-9 Catalog No: AG01F2K0 MDL No:
Product Description
Catalog Number:
AG01F2K0
Chemical Name:
3-Oxo-4-(2-trifluoromethyl-phenyl)-butyric acid ethyl ester
CAS Number:
1048916-57-9
Molecular Formula:
C13H13F3O3
Molecular Weight:
274.2357
IUPAC Name:
ethyl 3-oxo-4-[2-(trifluoromethyl)phenyl]butanoate
InChI:
InChI=1S/C13H13F3O3/c1-2-19-12(18)8-10(17)7-9-5-3-4-6-11(9)13(14,15)16/h3-6H,2,7-8H2,1H3
InChI Key:
IQFXTPQUYRZMLC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)Cc1ccccc1C(F)(F)F
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.239g/mol
Monoisotopic Mass:
274.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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