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Home > Fluorides > 1261616-43-6
1261616-43-6 | 3'-Fluoro-4'-(trifluoromethoxy)propiophenone
CAS No: 1261616-43-6 Catalog No: AG01FALQ MDL No:
Product Description
Catalog Number:
AG01FALQ
Chemical Name:
3'-Fluoro-4'-(trifluoromethoxy)propiophenone
CAS Number:
1261616-43-6
Molecular Formula:
C10H8F4O2
Molecular Weight:
236.1629
IUPAC Name:
1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one
InChI:
InChI=1S/C10H8F4O2/c1-2-8(15)6-3-4-9(7(11)5-6)16-10(12,13)14/h3-5H,2H2,1H3
InChI Key:
PONBBAXRAHFOBQ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)F)OC(F)(F)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.166g/mol
Monoisotopic Mass:
236.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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