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Home > Fluorides > 1443305-42-7
1443305-42-7 | 4'-n-Butoxy-2',6'-dimethyl-2,2,2-trifluoroacetophenone
CAS No: 1443305-42-7 Catalog No: AG01F817 MDL No:
Product Description
Catalog Number:
AG01F817
Chemical Name:
4'-n-Butoxy-2',6'-dimethyl-2,2,2-trifluoroacetophenone
CAS Number:
1443305-42-7
Molecular Formula:
C14H17F3O2
Molecular Weight:
274.2788
IUPAC Name:
1-(4-butoxy-2,6-dimethylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C14H17F3O2/c1-4-5-6-19-11-7-9(2)12(10(3)8-11)13(18)14(15,16)17/h7-8H,4-6H2,1-3H3
InChI Key:
YLHKFYHXDFXXPO-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C)c(c(c1)C)C(=O)C(F)(F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.118g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.283g/mol
Monoisotopic Mass:
274.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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