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1443305-33-6 | 3'-n-Butoxy-5'-fluoropropiophenone
CAS No: 1443305-33-6 Catalog No: AG01FE76 MDL No:
Product Description
Catalog Number:
AG01FE76
Chemical Name:
3'-n-Butoxy-5'-fluoropropiophenone
CAS Number:
1443305-33-6
Molecular Formula:
C13H17FO2
Molecular Weight:
224.2713
IUPAC Name:
1-(3-butoxy-5-fluorophenyl)propan-1-one
InChI:
InChI=1S/C13H17FO2/c1-3-5-6-16-12-8-10(13(15)4-2)7-11(14)9-12/h7-9H,3-6H2,1-2H3
InChI Key:
NQAWDKIVULISMQ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(F)cc(c1)C(=O)CC
Properties
Complexity:
218
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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