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Home > Fluorides > 467231-40-9
467231-40-9 | 4-[4-(Trifluoromethoxy)phenyl]-4-oxobutyric acid
CAS No: 467231-40-9 Catalog No: AG01EW3K MDL No:
Product Description
Catalog Number:
AG01EW3K
Chemical Name:
4-[4-(Trifluoromethoxy)phenyl]-4-oxobutyric acid
CAS Number:
467231-40-9
Molecular Formula:
C11H9F3O4
Molecular Weight:
262.1820
IUPAC Name:
4-oxo-4-[4-(trifluoromethoxy)phenyl]butanoic acid
InChI:
InChI=1S/C11H9F3O4/c12-11(13,14)18-8-3-1-7(2-4-8)9(15)5-6-10(16)17/h1-4H,5-6H2,(H,16,17)
InChI Key:
XKWLVILFEFVEAR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)OC(F)(F)F)CCC(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.184g/mol
Monoisotopic Mass:
262.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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