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Home > Fluorides > 886371-40-0
886371-40-0 | 2',3',4',5'-TETRAMETHYL-2,2,2-TRIFLUOROACETOPHENONE
CAS No: 886371-40-0 Catalog No: AG004AEE MDL No:
Product Description
Catalog Number:
AG004AEE
Chemical Name:
2',3',4',5'-TETRAMETHYL-2,2,2-TRIFLUOROACETOPHENONE
CAS Number:
886371-40-0
Molecular Formula:
C12H13F3O
Molecular Weight:
230.2262
IUPAC Name:
2,2,2-trifluoro-1-(2,3,4,5-tetramethylphenyl)ethanone
InChI:
InChI=1S/C12H13F3O/c1-6-5-10(11(16)12(13,14)15)9(4)8(3)7(6)2/h5H,1-4H3
InChI Key:
UFDHGEQYTVLOSG-UHFFFAOYSA-N
SMILES:
Cc1cc(c(c(c1C)C)C)C(=O)C(F)(F)F
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.23g/mol
Monoisotopic Mass:
230.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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