methyl 3-bromo-5-chlorobenzoate


Chemical Name: methyl 3-bromo-5-chlorobenzoate
CAS Number: 933585-58-1
Product Number: AG006GTH(AGN-PC-08XZ4I)
Synonyms:
MDL No: MFCD07780734
Molecular Formula: C8H6BrClO2
Molecular Weight: 249.4890

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
249.488g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
247.924g/mol
Monoisotopic Mass:
247.924g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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

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NMR Spectrum


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Chemical Structure



Methyl 3-bromo-5-chlorobenzoate is a versatile chemical compound commonly used in chemical synthesis processes. This compound serves as a valuable building block in the creation of various organic compounds due to its unique properties and reactivity.In chemical synthesis, Methyl 3-bromo-5-chlorobenzoate can be employed as a halogenated starting material for the preparation of more complex molecules. The bromine and chlorine atoms present in the structure offer opportunities for selective functionalization, allowing chemists to introduce diverse functional groups at specific positions in the molecule.Additionally, the ester group in Methyl 3-bromo-5-chlorobenzoate can participate in various organic transformations, such as esterification, transesterification, and nucleophilic substitution reactions. This versatility enables the compound to be utilized in the construction of a wide range of organic scaffolds with tailored properties and functionalities.Overall, Methyl 3-bromo-5-chlorobenzoate is a valuable tool in the toolbox of synthetic chemists, facilitating the synthesis of complex organic molecules with precision and efficiency.