Basic information
- Standard SMILES
CCOC(=O)CCc1ccc(OC)c(Br)c1- InChIKey
XZJUKFCKACOVLA-UHFFFAOYSA-N- Molecular formula
- C12H15BrO3
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 286.02046
Names & identifiers
- Preferred name
- Ethyl 3-(3-bromo-4-methoxyphenyl)propanoate
- IUPAC
- ethyl 3-(3-bromo-4-methoxyphenyl)propanoate
Names & synonyms
ethyl 3-(3-bromo-4-methoxyphenyl)propanoate53375-71-6SCHEMBL4450867XZJUKFCKACOVLA-UHFFFAOYSA-NDA-05141ethyl3-(3-bromo-4-methoxyphenyl)propanoate
Database identifiers
- PubChem CID
- 69049487
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Related reactions
3 records
Compound notes
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