2-bromo-1-(3-methoxyphenyl)ethanone


Chemical Name: 2-bromo-1-(3-methoxyphenyl)ethanone
CAS Number: 5000-65-7
Product Number: AG00I8X4(AGN-PC-0JLCPP)
Synonyms:
MDL No:
Molecular Formula: C9H9BrO2
Molecular Weight: 229.0706

Identification/Properties


Properties
MP:
60-62 °C(lit.)
BP:
278.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
229.073g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
227.979g/mol
Monoisotopic Mass:
227.979g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
159
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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