3-amino-3-(3-bromophenyl)propanoic acid


Chemical Name: 3-amino-3-(3-bromophenyl)propanoic acid
CAS Number: 117391-50-1
Product Number: AG000E7W(AGN-PC-0JTMWI)
Synonyms:
MDL No: MFCD00995843
Molecular Formula: C9H10BrNO2
Molecular Weight: 244.0852

Identification/Properties


Computed Properties
Molecular Weight:
244.088g/mol
XLogP3:
-1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
242.989g/mol
Monoisotopic Mass:
242.989g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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



3-Amino-3-(3-bromophenyl)propanoic acid is a versatile compound commonly used in organic chemical synthesis. Its application lies in its ability to serve as a key intermediate in the synthesis of various pharmaceuticals and fine chemicals. By utilizing this compound in reaction pathways, chemists can introduce specific functional groups and stereochemical features into target molecules, enabling the production of complex compounds with desired properties. This amino acid derivative plays a crucial role in the creation of diverse pharmacologically active compounds, making it a valuable building block in the field of medicinal chemistry. Additionally, its unique structural features make it an essential component in the development of novel materials and specialized chemical compounds for various industrial applications.