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Home > Fluorides > 1443312-41-1
1443312-41-1 | 3'-n-Butoxy-4'-methoxy-2,2,2-trifluoroacetophenone
CAS No: 1443312-41-1 Catalog No: AG01F92B MDL No:
Product Description
Catalog Number:
AG01F92B
Chemical Name:
3'-n-Butoxy-4'-methoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443312-41-1
Molecular Formula:
C13H15F3O3
Molecular Weight:
276.2516
IUPAC Name:
1-(3-butoxy-4-methoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H15F3O3/c1-3-4-7-19-11-8-9(5-6-10(11)18-2)12(17)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
GGSBYPFZXAYIIU-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1OC)C(=O)C(F)(F)F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.255g/mol
Monoisotopic Mass:
276.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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