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Home > Fluorides > 115467-03-3
115467-03-3 | 4'-Ethoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS No: 115467-03-3 Catalog No: AG01FA89 MDL No:
Product Description
Catalog Number:
AG01FA89
Chemical Name:
4'-Ethoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS Number:
115467-03-3
Molecular Formula:
C10H7F5O2
Molecular Weight:
254.1534
IUPAC Name:
1-(4-ethoxy-3,5-difluorophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C10H7F5O2/c1-2-17-8-6(11)3-5(4-7(8)12)9(16)10(13,14)15/h3-4H,2H2,1H3
InChI Key:
MRFDVZBRULQMIB-UHFFFAOYSA-N
SMILES:
CCOc1c(F)cc(cc1F)C(=O)C(F)(F)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.156g/mol
Monoisotopic Mass:
254.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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