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Home > Fluorides > 1443336-85-3
1443336-85-3 | 3'-iso-Pentoxy-2,2,2,4',5'-pentafluoroacetophenone
CAS No: 1443336-85-3 Catalog No: AG01F92R MDL No:
Product Description
Catalog Number:
AG01F92R
Chemical Name:
3'-iso-Pentoxy-2,2,2,4',5'-pentafluoroacetophenone
CAS Number:
1443336-85-3
Molecular Formula:
C13H13F5O2
Molecular Weight:
296.2331
IUPAC Name:
1-[3,4-difluoro-5-(3-methylbutoxy)phenyl]-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H13F5O2/c1-7(2)3-4-20-10-6-8(5-9(14)11(10)15)12(19)13(16,17)18/h5-7H,3-4H2,1-2H3
InChI Key:
SKWBISLDTXVDFO-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(cc(c1F)F)C(=O)C(F)(F)F)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.237g/mol
Monoisotopic Mass:
296.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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