Basic information
- Standard SMILES
COC(=O)C(NC(=O)c1ccc(F)c(Br)c1)C(C)O- InChIKey
QYOMYPMTOFWZLX-UHFFFAOYSA-N- Molecular formula
- C12H13BrFNO4
- Average molar mass
- 334.14 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[(3-bromo-4-fluorobenzoyl)amino]-3-hydroxybutanoate
- IUPAC
- methyl 2-[(3-bromo-4-fluorobenzoyl)amino]-3-hydroxybutanoate
Names & synonyms
SCHEMBL1109256
Database identifiers
- PubChem CID
- 66908710
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
2 records
Compound notes
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