Basic information
- Standard SMILES
CCOC(=O)Cc1cc(Oc2ccc(Br)cc2CO)ccc1Cl- InChIKey
AGUPZDAKKWXHCA-UHFFFAOYSA-N- Molecular formula
- C17H16BrClO4
- Average molar mass
- 399.7 g/mol
Names & identifiers
- Preferred name
- [5-(4-Bromo-2-hydroxymethyl-phenoxy)-2-chloro-phenyl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[5-[4-bromo-2-(hydroxymethyl)phenoxy]-2-chlorophenyl]acetate
Names & synonyms
SCHEMBL1643221AGUPZDAKKWXHCA-UHFFFAOYSA-N[5-(4-Bromo-2-hydroxymethyl-phenoxy)-2-chloro-phenyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 58237446
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Related reactions
4 records
Compound notes
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