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Home > Fluorides > 1094648-17-5
1094648-17-5 | 3'-Fluoro-6'-methoxy-3-methylbutyrophenone
CAS No: 1094648-17-5 Catalog No: AG01FB5B MDL No:
Product Description
Catalog Number:
AG01FB5B
Chemical Name:
3'-Fluoro-6'-methoxy-3-methylbutyrophenone
CAS Number:
1094648-17-5
Molecular Formula:
C12H15FO2
Molecular Weight:
210.2447
IUPAC Name:
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C12H15FO2/c1-8(2)6-11(14)10-7-9(13)4-5-12(10)15-3/h4-5,7-8H,6H2,1-3H3
InChI Key:
JCQWSHBWWSKVDX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)CC(C)C)F
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.248g/mol
Monoisotopic Mass:
210.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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