Basic information
- Standard SMILES
CCOC(=O)Cc1ccc(OC)c(Oc2ccc(Cl)cc2CBr)c1- InChIKey
MQHPZTKBLQRJIP-UHFFFAOYSA-N- Molecular formula
- C18H18BrClO4
- Average molar mass
- 413.7 g/mol
Names & identifiers
- Preferred name
- [3-(2-Bromomethyl-4-chloro-phenoxy)-4-methoxy-phenyl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[3-[2-(bromomethyl)-4-chlorophenoxy]-4-methoxyphenyl]acetate
Names & synonyms
SCHEMBL347811MQHPZTKBLQRJIP-UHFFFAOYSA-N[3-(2-Bromomethyl-4-chloro-phenoxy)-4-methoxy-phenyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 58237456
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
Related reactions
11 records
Compound notes
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