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Home > Fluorides > 122115-59-7
122115-59-7 | Benzeneheptanoic acid, ζ-oxo-3-(trifluoromethyl)-, ethyl ester
CAS No: 122115-59-7 Catalog No: AG0016SC MDL No:
Product Description
Catalog Number:
AG0016SC
Chemical Name:
Benzeneheptanoic acid, ζ-oxo-3-(trifluoromethyl)-, ethyl ester
CAS Number:
122115-59-7
Molecular Formula:
C16H19F3O3
Molecular Weight:
316.3155
IUPAC Name:
ethyl 7-oxo-7-[3-(trifluoromethyl)phenyl]heptanoate
InChI:
InChI=1S/C16H19F3O3/c1-2-22-15(21)10-5-3-4-9-14(20)12-7-6-8-13(11-12)16(17,18)19/h6-8,11H,2-5,9-10H2,1H3
InChI Key:
RICAXFIYDCACCQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.129g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.32g/mol
Monoisotopic Mass:
316.129g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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