Benzoic acid, 6-amino-3-bromo-2-methyl-, methyl ester


Chemical Name: Benzoic acid, 6-amino-3-bromo-2-methyl-, methyl ester
CAS Number: 573692-58-7
Product Number: AG00EKJE(AGN-PC-03HJ9E)
Synonyms:
MDL No:
Molecular Formula: C9H10BrNO2
Molecular Weight: 244.0852

Identification/Properties


Properties
BP:
293.8±35.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
244.088g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
242.989g/mol
Monoisotopic Mass:
242.989g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
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


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Chemical Structure



Methyl 6-amino-3-bromo-2-methylbenzoate is a versatile organic compound widely used in chemical synthesis. Its primary application lies in its role as a valuable building block in the creation of various pharmaceuticals and agrochemicals. This compound serves as an important intermediate in the synthesis of complex organic molecules due to its unique structure and reactivity. By incorporating Methyl 6-amino-3-bromo-2-methylbenzoate into organic synthesis reactions, chemists can facilitate the formation of diverse chemical compounds with specific biological activities. Furthermore, this compound's distinct properties make it a valuable tool for exploring new reaction pathways and developing novel synthetic strategies in the field of organic chemistry.