Basic information
- Standard SMILES
CCCOC(Cc1ccc(Br)cc1)C(=O)OC- InChIKey
ZZUFUDFUMLRYIY-UHFFFAOYSA-N- Molecular formula
- C13H17BrO3
- Average molar mass
- 301.18 g/mol
- Monoisotopic mass
- 300.03611
Names & identifiers
- Preferred name
- Methyl 3-(4-bromophenyl)-2-propoxypropanoate
- IUPAC
- methyl 3-(4-bromophenyl)-2-propoxypropanoate
Names & synonyms
SCHEMBL2175392
Database identifiers
- PubChem CID
- 67305010
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
2 records
Compound notes
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