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74457-86-6 | 1-(2-Fluoro-4-methoxyphenyl)ethanone
CAS No: 74457-86-6 Catalog No: AG0033B3 MDL No:MFCD00042290
Product Description
Catalog Number:
AG0033B3
Chemical Name:
1-(2-Fluoro-4-methoxyphenyl)ethanone
CAS Number:
74457-86-6
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD00042290
IUPAC Name:
1-(2-fluoro-4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3
InChI Key:
PIRRWUMTIBFCCW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)F)C(=O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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