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Home > Fluorides > 951891-61-5
951891-61-5 | 5-(2,3,4,5-Tetrafluorophenyl)-5-oxovaleric acid
CAS No: 951891-61-5 Catalog No: AG01EZYK MDL No:
Product Description
Catalog Number:
AG01EZYK
Chemical Name:
5-(2,3,4,5-Tetrafluorophenyl)-5-oxovaleric acid
CAS Number:
951891-61-5
Molecular Formula:
C11H8F4O3
Molecular Weight:
264.1730
IUPAC Name:
5-oxo-5-(2,3,4,5-tetrafluorophenyl)pentanoic acid
InChI:
InChI=1S/C11H8F4O3/c12-6-4-5(9(13)11(15)10(6)14)7(16)2-1-3-8(17)18/h4H,1-3H2,(H,17,18)
InChI Key:
OTDSJXNJAUORKP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1cc(F)c(c(c1F)F)F
Properties
Complexity:
323
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:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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