Basic information
- Standard SMILES
CCOC(=O)C(C)c1ccc(OC)c(Br)c1- InChIKey
BBQABFIWRZWYGW-UHFFFAOYSA-N- Molecular formula
- C12H15BrO3
- Average molar mass
- 287.15 g/mol
Names & identifiers
- Preferred name
- 2-(3-Bromo-4-methoxy-phenyl)-propionic acid ethyl ester
- IUPAC
- ethyl 2-(3-bromo-4-methoxyphenyl)propanoate
Names & synonyms
SCHEMBL137638BBQABFIWRZWYGW-UHFFFAOYSA-NDB-171006ethyl 2-(3-bromo-4-methoxyphenyl)propanoate2-(3-Bromo-4-methoxy-phenyl)-propionic acid ethyl ester(+/-)-2-(3-bromo-4-methoxy-phenyl)-propionic acid ethyl ester1445891-68-8
Database identifiers
- PubChem CID
- 57458804
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
6 records
Compound notes
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