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42444-14-4 | 3'-Fluoro-4'-methylacetophenone
CAS No: 42444-14-4 Catalog No: AG003CWZ MDL No:MFCD01631411
Product Description
Catalog Number:
AG003CWZ
Chemical Name:
3'-Fluoro-4'-methylacetophenone
CAS Number:
42444-14-4
Molecular Formula:
C9H9FO
Molecular Weight:
152.1656
MDL Number:
MFCD01631411
IUPAC Name:
1-(3-fluoro-4-methylphenyl)ethanone
InChI:
InChI=1S/C9H9FO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3
InChI Key:
XAMNMGLEJNLUIH-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)F)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.168g/mol
Monoisotopic Mass:
152.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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