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Home > Fluorides > 845781-43-3
845781-43-3 | 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid
CAS No: 845781-43-3 Catalog No: AG01EXQ0 MDL No:MFCD06201670
Product Description
Catalog Number:
AG01EXQ0
Chemical Name:
5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid
CAS Number:
845781-43-3
Molecular Formula:
C12H12F2O3
Molecular Weight:
242.2187
MDL Number:
MFCD06201670
IUPAC Name:
5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoic acid
InChI:
InChI=1S/C12H12F2O3/c1-7(5-12(16)17)4-11(15)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChI Key:
LHFALPXBGLCWGZ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccc(c(c1)F)F)CC(=O)O
Properties
Complexity:
294
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:
2.2
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