Basic information
- CAS
32906-30-2- Standard SMILES
NC(CC(=O)O)c1cc(Br)ccc1O- InChIKey
MSPXYAMOMRDXEZ-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO3
- Average molar mass
- 260.08 g/mol
- Monoisotopic mass
- 258.98441
Names & identifiers
- Preferred name
- 3-Amino-3-(5-bromo-2-hydroxyphenyl)propanoic acid
- IUPAC
- 3-amino-3-(5-bromo-2-hydroxyphenyl)propanoic acid
Names & synonyms
3-amino-3-(5-bromo-2-hydroxyphenyl)propanoic acid32906-30-2DTXSID801248790EN300-1915228I(2)-Amino-5-bromo-2-hydroxybenzenepropanoic acid
Database identifiers
- CAS
32906-30-2- PubChem CID
- 21822158
- DTXSID
DTXSID801248790
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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