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Home > Fluorides > 1443342-31-1
1443342-31-1 | 5-[3-Fluoro-5-(trifluoromethyl)phenyl]-5-oxovaleric acid
CAS No: 1443342-31-1 Catalog No: AG01F7JU MDL No:
Product Description
Catalog Number:
AG01F7JU
Chemical Name:
5-[3-Fluoro-5-(trifluoromethyl)phenyl]-5-oxovaleric acid
CAS Number:
1443342-31-1
Molecular Formula:
C12H10F4O3
Molecular Weight:
278.1996
IUPAC Name:
5-[3-fluoro-5-(trifluoromethyl)phenyl]-5-oxopentanoic acid
InChI:
InChI=1S/C12H10F4O3/c13-9-5-7(4-8(6-9)12(14,15)16)10(17)2-1-3-11(18)19/h4-6H,1-3H2,(H,18,19)
InChI Key:
WXJPJOZCSBVCOU-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1cc(F)cc(c1)C(F)(F)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.203g/mol
Monoisotopic Mass:
278.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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