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Home > Fluorides > 943111-02-2
943111-02-2 | 3-Fluoro-4-methoxyphenyl cyclohexyl ketone
CAS No: 943111-02-2 Catalog No: AG01EZH2 MDL No:
Product Description
Catalog Number:
AG01EZH2
Chemical Name:
3-Fluoro-4-methoxyphenyl cyclohexyl ketone
CAS Number:
943111-02-2
Molecular Formula:
C14H17FO2
Molecular Weight:
236.2820
IUPAC Name:
cyclohexyl-(3-fluoro-4-methoxyphenyl)methanone
InChI:
InChI=1S/C14H17FO2/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChI Key:
OYZNNCWZPLQCFV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)C1CCCCC1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.286g/mol
Monoisotopic Mass:
236.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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