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Home > Fluorides > 1443344-52-2
1443344-52-2 | 4'-n-Pentoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS No: 1443344-52-2 Catalog No: AG01F9LK MDL No:
Product Description
Catalog Number:
AG01F9LK
Chemical Name:
4'-n-Pentoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS Number:
1443344-52-2
Molecular Formula:
C13H13F5O2
Molecular Weight:
296.2331
IUPAC Name:
1-(3,5-difluoro-4-pentoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H13F5O2/c1-2-3-4-5-20-11-9(14)6-8(7-10(11)15)12(19)13(16,17)18/h6-7H,2-5H2,1H3
InChI Key:
GDVVKZZALVYYQR-UHFFFAOYSA-N
SMILES:
CCCCCOc1c(F)cc(cc1F)C(=O)C(F)(F)F
Properties
Complexity:
306
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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