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1443342-77-5 | 4'-Fluoro-3'-iso-pentoxypropiophenone
CAS No: 1443342-77-5 Catalog No: AG01FD6D MDL No:
Product Description
Catalog Number:
AG01FD6D
Chemical Name:
4'-Fluoro-3'-iso-pentoxypropiophenone
CAS Number:
1443342-77-5
Molecular Formula:
C14H19FO2
Molecular Weight:
238.2979
IUPAC Name:
1-[4-fluoro-3-(3-methylbutoxy)phenyl]propan-1-one
InChI:
InChI=1S/C14H19FO2/c1-4-13(16)11-5-6-12(15)14(9-11)17-8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChI Key:
HEGUUFXDWVIKAQ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)OCCC(C)C)F
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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