Basic information
- CAS
54788-42-0- Standard SMILES
NC(Cc1ccc(O)cc1Br)C(=O)O- InChIKey
UBPJIGYYLTZEDD-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO3
- Average molar mass
- 260.08 g/mol
- Monoisotopic mass
- 258.98441
Names & identifiers
- Preferred name
- 2-Amino-3-(2-bromo-4-hydroxyphenyl)propanoic acid
- IUPAC
- 2-amino-3-(2-bromo-4-hydroxyphenyl)propanoic acid
Names & synonyms
2-amino-3-(2-bromo-4-hydroxyphenyl)propanoic acid54788-42-0L-Tyrosine, 2-bromo-2-Bromo-DL-tyrosineDL-Tyrosine, 2-bromo-2-bromotyrosineSCHEMBL2315503DTXSID90970127AKOS0221876322-amino-3-(2-bromo-4-hydroxyphenyl)propanoicacid
Database identifiers
- CAS
54788-42-0- PubChem CID
- 148709
- DTXSID
DTXSID90970127
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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