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Home > Fluorides > 1443311-48-5
1443311-48-5 | 4'-n-Butoxy-3'-methyl-2,2,2-trifluoroacetophenone
CAS No: 1443311-48-5 Catalog No: AG01F9B5 MDL No:
Product Description
Catalog Number:
AG01F9B5
Chemical Name:
4'-n-Butoxy-3'-methyl-2,2,2-trifluoroacetophenone
CAS Number:
1443311-48-5
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
IUPAC Name:
1-(4-butoxy-3-methylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H15F3O2/c1-3-4-7-18-11-6-5-10(8-9(11)2)12(17)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
PLBKQAZCVGWHMB-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1C)C(=O)C(F)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.256g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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