HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromotyrosine
3-bromotyrosine · Tyrosine, 3-bromo- · DL-Tyrosine, 3-broMo- · 3-bromotyrosine USP/EP/BP · 2-Amino-3-(3-bromo-4-hydroxyphenyl) · 2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoicaci · 2-AMino-3-(3-broMo-4-hydroxyphenyl)propanoic acid · 2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid - [A72300]
Identifiers & Physical Properties
| CAS No. | 54788-30-6 |
|---|---|
| Molecular formula | C9H10BrNO3 |
| Average molar mass | 260.08 g/mol |
| Monoisotopic mass | 258.98441 g/mol |
| SMILES | NC(Cc1ccc(O)c(Br)c1)C(=O)O |
| InChIKey | HGWOSUKIFQMEIF-UHFFFAOYSA-N |
| PubChem CID | 148708 |
| ChEBI | CHEBI:80911 |
| DTXSID | DTXSID30970126 |
Chemical & Physical Properties
| XLogP | -1.7 |
|---|---|
| Topological polar surface area | 83.6 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 212 |
| Physical Description | Solid |
| Boiling point | 402.8±45.0 °C(Predicted) |
| Density | 1.710±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | 2.21±0.20(Predicted) |
| Appearance | White to off-white Solid |