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Home > Fluorides > 845781-44-4
845781-44-4 | 5-(3,5-Difluorophenyl)-3-methyl-5-oxovaleric acid
CAS No: 845781-44-4 Catalog No: AG01EXQ1 MDL No:
Product Description
Catalog Number:
AG01EXQ1
Chemical Name:
5-(3,5-Difluorophenyl)-3-methyl-5-oxovaleric acid
CAS Number:
845781-44-4
Molecular Formula:
C12H12F2O3
Molecular Weight:
242.2187
IUPAC Name:
5-(3,5-difluorophenyl)-3-methyl-5-oxopentanoic acid
InChI:
InChI=1S/C12H12F2O3/c1-7(3-12(16)17)2-11(15)8-4-9(13)6-10(14)5-8/h4-7H,2-3H2,1H3,(H,16,17)
InChI Key:
CLNJUIWHVAHCGO-UHFFFAOYSA-N
SMILES:
CC(CC(=O)O)CC(=O)c1cc(F)cc(c1)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.222g/mol
Monoisotopic Mass:
242.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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