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Home > Fluorides > 1443309-39-4
1443309-39-4 | 4-[3-Fluoro-4-(trifluoromethoxy)phenyl]-4-oxobutyric acid
CAS No: 1443309-39-4 Catalog No: AG01F7BY MDL No:
Product Description
Catalog Number:
AG01F7BY
Chemical Name:
4-[3-Fluoro-4-(trifluoromethoxy)phenyl]-4-oxobutyric acid
CAS Number:
1443309-39-4
Molecular Formula:
C11H8F4O4
Molecular Weight:
280.1724
IUPAC Name:
4-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-oxobutanoic acid
InChI:
InChI=1S/C11H8F4O4/c12-7-5-6(8(16)2-4-10(17)18)1-3-9(7)19-11(13,14)15/h1,3,5H,2,4H2,(H,17,18)
InChI Key:
CNRNNSYPKAWYDN-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1ccc(c(c1)F)OC(F)(F)F
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.175g/mol
Monoisotopic Mass:
280.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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