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1094648-11-9 | 3'-Fluoro-6'-methoxybutyrophenone
CAS No: 1094648-11-9 Catalog No: AG01FEAN MDL No:
Product Description
Catalog Number:
AG01FEAN
Chemical Name:
3'-Fluoro-6'-methoxybutyrophenone
CAS Number:
1094648-11-9
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
1-(5-fluoro-2-methoxyphenyl)butan-1-one
InChI:
InChI=1S/C11H13FO2/c1-3-4-10(13)9-7-8(12)5-6-11(9)14-2/h5-7H,3-4H2,1-2H3
InChI Key:
MYPHUYYQNMGKCA-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc(F)ccc1OC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.221g/mol
Monoisotopic Mass:
196.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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