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1495-03-0 | 1,3-Butanedione, 1-(4-ethylphenyl)-4,4,4-trifluoro-
CAS No: 1495-03-0 Catalog No: AG001LRX MDL No:MFCD03419767
Product Description
Catalog Number:
AG001LRX
Chemical Name:
1,3-Butanedione, 1-(4-ethylphenyl)-4,4,4-trifluoro-
CAS Number:
1495-03-0
Molecular Formula:
C12H11F3O2
Molecular Weight:
244.2097
MDL Number:
MFCD03419767
IUPAC Name:
1-(4-ethylphenyl)-4,4,4-trifluorobutane-1,3-dione
InChI:
InChI=1S/C12H11F3O2/c1-2-8-3-5-9(6-4-8)10(16)7-11(17)12(13,14)15/h3-6H,2,7H2,1H3
InChI Key:
KDDQMNMAUZHOMD-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)CC(=O)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:
3.4
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