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1443344-05-5 | 4'-n-Butoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS No: 1443344-05-5 Catalog No: AG01F9W5 MDL No:
Product Description
Catalog Number:
AG01F9W5
Chemical Name:
4'-n-Butoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS Number:
1443344-05-5
Molecular Formula:
C12H11F5O2
Molecular Weight:
282.2066
IUPAC Name:
1-(4-butoxy-3,5-difluorophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H11F5O2/c1-2-3-4-19-10-8(13)5-7(6-9(10)14)11(18)12(15,16)17/h5-6H,2-4H2,1H3
InChI Key:
LVBHDQRIOHPKHC-UHFFFAOYSA-N
SMILES:
CCCCOc1c(F)cc(cc1F)C(=O)C(F)(F)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.21g/mol
Monoisotopic Mass:
282.068g/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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