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1443345-68-3 | 5'-Fluoro-2'-iso-pentoxypropiophenone
CAS No: 1443345-68-3 Catalog No: AG01FD6Z MDL No:
Product Description
Catalog Number:
AG01FD6Z
Chemical Name:
5'-Fluoro-2'-iso-pentoxypropiophenone
CAS Number:
1443345-68-3
Molecular Formula:
C14H19FO2
Molecular Weight:
238.2979
IUPAC Name:
1-[5-fluoro-2-(3-methylbutoxy)phenyl]propan-1-one
InChI:
InChI=1S/C14H19FO2/c1-4-13(16)12-9-11(15)5-6-14(12)17-8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChI Key:
KVFLAULFGKMNPY-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(F)ccc1OCCC(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.302g/mol
Monoisotopic Mass:
238.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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