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Home > Fluorides > 1352222-69-5
1352222-69-5 | 4'-n-Butyl-2,2,3,3,3-pentafluoropropiophenone
CAS No: 1352222-69-5 Catalog No: AG01FAB4 MDL No:
Product Description
Catalog Number:
AG01FAB4
Chemical Name:
4'-n-Butyl-2,2,3,3,3-pentafluoropropiophenone
CAS Number:
1352222-69-5
Molecular Formula:
C13H13F5O
Molecular Weight:
280.2337
IUPAC Name:
1-(4-butylphenyl)-2,2,3,3,3-pentafluoropropan-1-one
InChI:
InChI=1S/C13H13F5O/c1-2-3-4-9-5-7-10(8-6-9)11(19)12(14,15)13(16,17)18/h5-8H,2-4H2,1H3
InChI Key:
ADSQAZWMWUORNM-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)C(C(F)(F)F)(F)F
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.238g/mol
Monoisotopic Mass:
280.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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