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1443349-20-9 | 5'-Fluoro-3'-iso-pentoxyacetophenone
CAS No: 1443349-20-9 Catalog No: AG01FDMB MDL No:
Product Description
Catalog Number:
AG01FDMB
Chemical Name:
5'-Fluoro-3'-iso-pentoxyacetophenone
CAS Number:
1443349-20-9
Molecular Formula:
C13H17FO2
Molecular Weight:
224.2713
IUPAC Name:
1-[3-fluoro-5-(3-methylbutoxy)phenyl]ethanone
InChI:
InChI=1S/C13H17FO2/c1-9(2)4-5-16-13-7-11(10(3)15)6-12(14)8-13/h6-9H,4-5H2,1-3H3
InChI Key:
DVZWUEGTVPERRZ-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(F)cc(c1)C(=O)C)C
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:
3.4
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