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Home > Fluorides > 159835-77-5
159835-77-5 | 4'-n-Butoxy-2,2,2-trifluoroacetophenone
CAS No: 159835-77-5 Catalog No: AG01FCFW MDL No:
Product Description
Catalog Number:
AG01FCFW
Chemical Name:
4'-n-Butoxy-2,2,2-trifluoroacetophenone
CAS Number:
159835-77-5
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
IUPAC Name:
1-(4-butoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H13F3O2/c1-2-3-8-17-10-6-4-9(5-7-10)11(16)12(13,14)15/h4-7H,2-3,8H2,1H3
InChI Key:
OGVYTTCYPSSVNB-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)C(F)(F)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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