Basic information
- Standard SMILES
COC(=O)CCc1cccc(OCc2ccc(Br)c(Cl)c2)c1- InChIKey
JKWPASLWEOURSR-UHFFFAOYSA-N- Molecular formula
- C17H16BrClO3
- Average molar mass
- 383.7 g/mol
- Monoisotopic mass
- 381.99713
Names & identifiers
- Preferred name
- Methyl 3-(3-(4-bromo-3-chlorobenzyloxy)phenyl)propanoate
- IUPAC
- methyl 3-[3-[(4-bromo-3-chlorophenyl)methoxy]phenyl]propanoate
Names & synonyms
SCHEMBL2498067JKWPASLWEOURSR-UHFFFAOYSA-NMethyl 3-(3-(4-bromo-3-chlorobenzyloxy)phenyl)propanoate
Database identifiers
- PubChem CID
- 57705773
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
Related reactions
2 records
Compound notes
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