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1443343-96-1 | 5'-Fluoro-3'-n-pentoxyacetophenone
CAS No: 1443343-96-1 Catalog No: AG01FE7Z MDL No:
Product Description
Catalog Number:
AG01FE7Z
Chemical Name:
5'-Fluoro-3'-n-pentoxyacetophenone
CAS Number:
1443343-96-1
Molecular Formula:
C13H17FO2
Molecular Weight:
224.2713
IUPAC Name:
1-(3-fluoro-5-pentoxyphenyl)ethanone
InChI:
InChI=1S/C13H17FO2/c1-3-4-5-6-16-13-8-11(10(2)15)7-12(14)9-13/h7-9H,3-6H2,1-2H3
InChI Key:
BKKJGUVPNHRSDM-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(F)cc(c1)C(=O)C
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:
3.5
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