Methyl 2-amino-4-bromo-5-chlorobenzoate


Chemical Name: Methyl 2-amino-4-bromo-5-chlorobenzoate
CAS Number: 1445322-56-4
Product Number: AG001JPR(AGN-PC-0WADR8)
Synonyms:
MDL No:
Molecular Formula: C8H7BrClNO2
Molecular Weight: 264.5037

Identification/Properties


Computed Properties
Molecular Weight:
264.503g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
262.935g/mol
Monoisotopic Mass:
262.935g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
203
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 2-amino-4-bromo-5-chlorobenzoate is a versatile compound that finds wide application in chemical synthesis processes. This compound serves as a valuable building block in the creation of various organic molecules and pharmaceutical intermediates. Its unique structure containing amino, bromo, and chloro substituents makes it an important reagent for introducing specific functional groups into target molecules. In organic synthesis, Methyl 2-amino-4-bromo-5-chlorobenzoate can be utilized as a key starting material for the preparation of complex organic compounds through a variety of chemical reactions such as nucleophilic substitution, cross-coupling reactions, and cyclization processes. Its ability to undergo different transformations under specific reaction conditions allows for the tailored synthesis of new compounds with desired properties, making it an essential tool for medicinal chemistry, material science, and agrochemical research.