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1443344-00-0 | 2'-Pentoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS No: 1443344-00-0 Catalog No: AG01FA4P MDL No:
Product Description
Catalog Number:
AG01FA4P
Chemical Name:
2'-Pentoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS Number:
1443344-00-0
Molecular Formula:
C13H13F5O2
Molecular Weight:
296.2331
IUPAC Name:
1-(3,5-difluoro-2-pentoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H13F5O2/c1-2-3-4-5-20-11-9(12(19)13(16,17)18)6-8(14)7-10(11)15/h6-7H,2-5H2,1H3
InChI Key:
ONXKJDAAYPDQAW-UHFFFAOYSA-N
SMILES:
CCCCCOc1c(F)cc(cc1C(=O)C(F)(F)F)F
Properties
Complexity:
318
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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