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1443340-68-8 | 3'-iso-Butoxy-5'-fluoropropiophenone
CAS No: 1443340-68-8 Catalog No: AG01FDLE MDL No:
Product Description
Catalog Number:
AG01FDLE
Chemical Name:
3'-iso-Butoxy-5'-fluoropropiophenone
CAS Number:
1443340-68-8
Molecular Formula:
C13H17FO2
Molecular Weight:
224.2713
IUPAC Name:
1-[3-fluoro-5-(2-methylpropoxy)phenyl]propan-1-one
InChI:
InChI=1S/C13H17FO2/c1-4-13(15)10-5-11(14)7-12(6-10)16-8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChI Key:
WAVVAXCTWAKUDA-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(OCC(C)C)cc(c1)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.275g/mol
Monoisotopic Mass:
224.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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