Benzeneacetic acid, 3-bromo-, methyl ester


Chemical Name: Benzeneacetic acid, 3-bromo-, methyl ester
CAS Number: 150529-73-0
Product Number: AG001MOQ(AGN-PC-00FBLE)
Synonyms:
MDL No: MFCD06858764
Molecular Formula: C9H9BrO2
Molecular Weight: 229.0706

Identification/Properties


Properties
BP:
268.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.5440 to 1.5480
Computed Properties
Molecular Weight:
229.073g/mol
XLogP3:
2.7
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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