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1228926-04-2 | 3'-Fluoro-5'-methylpropiophenone
CAS No: 1228926-04-2 Catalog No: AG01FELR MDL No:
Product Description
Catalog Number:
AG01FELR
Chemical Name:
3'-Fluoro-5'-methylpropiophenone
CAS Number:
1228926-04-2
Molecular Formula:
C10H11FO
Molecular Weight:
166.1921
IUPAC Name:
1-(3-fluoro-5-methylphenyl)propan-1-one
InChI:
InChI=1S/C10H11FO/c1-3-10(12)8-4-7(2)5-9(11)6-8/h4-6H,3H2,1-2H3
InChI Key:
ZTAOJGXJRWCNCZ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(C)cc(c1)F
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.195g/mol
Monoisotopic Mass:
166.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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