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313-56-4 | 2,2,2-Trifluoro-2′,4′,6′-trimethylacetophenone
CAS No: 313-56-4 Catalog No: AG003F6Z MDL No:MFCD00151856
Product Description
Catalog Number:
AG003F6Z
Chemical Name:
2,2,2-Trifluoro-2′,4′,6′-trimethylacetophenone
CAS Number:
313-56-4
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
MDL Number:
MFCD00151856
IUPAC Name:
2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethanone
InChI:
InChI=1S/C11H11F3O/c1-6-4-7(2)9(8(3)5-6)10(15)11(12,13)14/h4-5H,1-3H3
InChI Key:
VINRTVDNUHIWCB-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C(=O)C(F)(F)F
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.203g/mol
Monoisotopic Mass:
216.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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