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Home > Fluorides > 1048916-84-2
1048916-84-2 | 3-Oxo-4-(4-trifluoromethylphenyl)butyric acid methyl ester
CAS No: 1048916-84-2 Catalog No: AG01F2BW MDL No:
Product Description
Catalog Number:
AG01F2BW
Chemical Name:
3-Oxo-4-(4-trifluoromethylphenyl)butyric acid methyl ester
CAS Number:
1048916-84-2
Molecular Formula:
C12H11F3O3
Molecular Weight:
260.2091
IUPAC Name:
methyl 3-oxo-4-[4-(trifluoromethyl)phenyl]butanoate
InChI:
InChI=1S/C12H11F3O3/c1-18-11(17)7-10(16)6-8-2-4-9(5-3-8)12(13,14)15/h2-5H,6-7H2,1H3
InChI Key:
PGZZCICMAOOKOX-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.212g/mol
Monoisotopic Mass:
260.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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