Basic information
- CAS
6951-76-4- Standard SMILES
COC(=O)COc1ccc(C(=O)CBr)cc1- InChIKey
DQYVNKNUJZXESJ-UHFFFAOYSA-N- Molecular formula
- C11H11BrO4
- Average molar mass
- 287.11 g/mol
- Monoisotopic mass
- 285.98407093
Names & identifiers
- Preferred name
- Methyl 4-bromoacetylphenoxyacetate
- IUPAC
- methyl 2-[4-(2-bromoacetyl)phenoxy]acetate
Names & synonyms
6951-76-4methyl 4-bromoacetylphenoxyacetateNSC53203SCHEMBL2009866DTXSID70989474DQYVNKNUJZXESJ-UHFFFAOYSA-NNSC-53203Methyl [4-(bromoacetyl)phenoxy]acetate
Database identifiers
- CAS
6951-76-4- PubChem CID
- 243438
- DTXSID
DTXSID70989474
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
15 records
Compound notes
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