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Home > Fluorides > 1443331-28-9
1443331-28-9 | 4-[3-Fluoro-5-(trifluoromethyl)phenyl]-4-oxobutyric acid
CAS No: 1443331-28-9 Catalog No: AG01F7JS MDL No:
Product Description
Catalog Number:
AG01F7JS
Chemical Name:
4-[3-Fluoro-5-(trifluoromethyl)phenyl]-4-oxobutyric acid
CAS Number:
1443331-28-9
Molecular Formula:
C11H8F4O3
Molecular Weight:
264.1730
IUPAC Name:
4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-oxobutanoic acid
InChI:
InChI=1S/C11H8F4O3/c12-8-4-6(9(16)1-2-10(17)18)3-7(5-8)11(13,14)15/h3-5H,1-2H2,(H,17,18)
InChI Key:
PHHHVSUOOWBBCP-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1cc(F)cc(c1)C(F)(F)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.176g/mol
Monoisotopic Mass:
264.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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