Home Other Building Blocks 1-[4-(trifluoromethyl)phenyl]pentane-1,3-dione

1-[4-(trifluoromethyl)phenyl]pentane-1,3-dione

CAS No.:
258346-70-2
Catalog Number:
AG019XDF
Molecular Formula:
C12H11F3O2
Molecular Weight:
244.2097
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Product Description
Catalog Number:
AG019XDF
Chemical Name:
1-[4-(trifluoromethyl)phenyl]pentane-1,3-dione
CAS Number:
258346-70-2
Molecular Formula:
C12H11F3O2
Molecular Weight:
244.2097
MDL Number:
MFCD11185172
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]pentane-1,3-dione
InChI:
InChI=1S/C12H11F3O2/c1-2-10(16)7-11(17)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3
InChI Key:
OECHMKNVOJAWBH-UHFFFAOYSA-N
SMILES:
CCC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.071g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.213g/mol
Monoisotopic Mass:
244.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties