Basic information
- Standard SMILES
CCOC(=O)c1cc(NC(C)=O)ccc1Br- InChIKey
IFBQQERINNNPNE-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO3
- Average molar mass
- 286.12 g/mol
- Monoisotopic mass
- 285.00006
Names & identifiers
- Preferred name
- Ethyl 5-(acetylamino)-2-bromobenzoate
- IUPAC
- ethyl 5-acetamido-2-bromobenzoate
Names & synonyms
SCHEMBL5096227IFBQQERINNNPNE-UHFFFAOYSA-NEthyl 5-(acetylamino)-2-bromobenzoate
Database identifiers
- PubChem CID
- 69309519
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
3 records
Compound notes
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