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Home > Fluorides > 943116-07-2
943116-07-2 | 3-Fluoro-4-methoxyphenyl cyclopentyl ketone
CAS No: 943116-07-2 Catalog No: AG01EZH6 MDL No:
Product Description
Catalog Number:
AG01EZH6
Chemical Name:
3-Fluoro-4-methoxyphenyl cyclopentyl ketone
CAS Number:
943116-07-2
Molecular Formula:
C13H15FO2
Molecular Weight:
222.2554
IUPAC Name:
cyclopentyl-(3-fluoro-4-methoxyphenyl)methanone
InChI:
InChI=1S/C13H15FO2/c1-16-12-7-6-10(8-11(12)14)13(15)9-4-2-3-5-9/h6-9H,2-5H2,1H3
InChI Key:
XWCSNGSAICUHIH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)C1CCCC1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.259g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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