Basic information
- Standard SMILES
CCOC(=O)c1c(C)ccc(Br)c1O- InChIKey
RMLHHHHKUVRZTQ-UHFFFAOYSA-N- Molecular formula
- C10H11BrO3
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.98916
Names & identifiers
- Preferred name
- Ethyl 3-bromo-2-hydroxy-6-methylbenzoate
- IUPAC
- ethyl 3-bromo-2-hydroxy-6-methylbenzoate
Names & synonyms
ethyl 3-bromo-2-hydroxy-6-methylbenzoateSCHEMBL1648091RMLHHHHKUVRZTQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11470920
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
2 records
Compound notes
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