Ethyl 3-acetyl-5-bromo-4-hydroxybenzoate
Basic information
- CAS
102298-00-0- Standard SMILES
CCOC(=O)c1cc(Br)c(O)c(C(C)=O)c1- InChIKey
ZMISYIQQIHXUTB-UHFFFAOYSA-N- Molecular formula
- C11H11BrO4
- Average molar mass
- 287.11 g/mol
- Monoisotopic mass
- 285.98407
Names & identifiers
- Preferred name
- Ethyl 3-acetyl-5-bromo-4-hydroxybenzoate
- IUPAC
- ethyl 3-acetyl-5-bromo-4-hydroxybenzoate
Names & synonyms
DTXSID801275244Ethyl 3-acetyl-5-bromo-4-hydroxybenzoate102298-00-0
Database identifiers
- CAS
102298-00-0- PubChem CID
- 85530453
- DTXSID
DTXSID801275244
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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