Basic information
- Standard SMILES
COC(=O)C(Oc1cccc(C(=O)CBr)c1)c1ccccc1- InChIKey
OHKLBSSNNBFMIB-UHFFFAOYSA-N- Molecular formula
- C17H15BrO4
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 362.01537
Names & identifiers
- Preferred name
- [3-(2-Bromo-acetyl)-phenoxy]-phenyl-acetic acid methyl ester
- IUPAC
- methyl 2-[3-(2-bromoacetyl)phenoxy]-2-phenylacetate
Names & synonyms
SCHEMBL4956529OHKLBSSNNBFMIB-UHFFFAOYSA-N[3-(2-Bromo-acetyl)-phenoxy]-phenyl-acetic acid methyl ester
Database identifiers
- PubChem CID
- 86607372
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
2 records
Compound notes
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