2-Bromoethyl 2-(4-methoxyphenyl)acetate
Basic information
- CAS
80336-89-6- Standard SMILES
COc1ccc(CC(=O)OCCBr)cc1- InChIKey
MJXKITKLYGQQCZ-UHFFFAOYSA-N- Molecular formula
- C11H13BrO3
- Average molar mass
- 273.12 g/mol
- Monoisotopic mass
- 272.00481
Names & identifiers
- Preferred name
- 2-Bromoethyl 2-(4-methoxyphenyl)acetate
- IUPAC
- 2-bromoethyl 2-(4-methoxyphenyl)acetate
Names & synonyms
80336-89-62-bromoethyl 2-(4-methoxyphenyl)acetateNSC247652-bromoethyl (4-methoxyphenyl)acetateDTXSID80282160NSC-24765
Database identifiers
- CAS
80336-89-6- PubChem CID
- 230179
- DTXSID
DTXSID80282160
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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