Basic information
- Standard SMILES
CCOC(=O)Cc1cccc(Oc2ccccc2CBr)c1- InChIKey
YZHFQCWUWRPGJO-UHFFFAOYSA-N- Molecular formula
- C17H17BrO3
- Average molar mass
- 349.2 g/mol
- Monoisotopic mass
- 348.03611
Names & identifiers
- Preferred name
- [3-(2-Bromomethyl-phenoxy)-phenyl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[3-[2-(bromomethyl)phenoxy]phenyl]acetate
Names & synonyms
SCHEMBL1643059YZHFQCWUWRPGJO-UHFFFAOYSA-N[3-(2-Bromomethyl-phenoxy)-phenyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 58237656
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Related reactions
4 records
Compound notes
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