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Home > Fluorides > 1443311-35-0
1443311-35-0 | 5-[3-Fluoro-4-(trifluoromethoxy)phenyl]-5-oxovaleric acid
CAS No: 1443311-35-0 Catalog No: AG01F7C2 MDL No:
Product Description
Catalog Number:
AG01F7C2
Chemical Name:
5-[3-Fluoro-4-(trifluoromethoxy)phenyl]-5-oxovaleric acid
CAS Number:
1443311-35-0
Molecular Formula:
C12H10F4O4
Molecular Weight:
294.1990
IUPAC Name:
5-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-oxopentanoic acid
InChI:
InChI=1S/C12H10F4O4/c13-8-6-7(9(17)2-1-3-11(18)19)4-5-10(8)20-12(14,15)16/h4-6H,1-3H2,(H,18,19)
InChI Key:
CUHKRPKTWYQYNE-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1ccc(c(c1)F)OC(F)(F)F
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.202g/mol
Monoisotopic Mass:
294.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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