Basic information
- CAS
828268-12-8- Standard SMILES
COc1ccc(C(=O)OCC=CCBr)cc1- InChIKey
KVUAENUBSSUTFJ-UHFFFAOYSA-N- Molecular formula
- C12H13BrO3
- Average molar mass
- 285.13 g/mol
- Monoisotopic mass
- 284.00481
Names & identifiers
- Preferred name
- 4-Bromobut-2-en-1-yl 4-methoxybenzoate
- IUPAC
- 4-bromobut-2-enyl 4-methoxybenzoate
Names & synonyms
828268-12-84-Bromobut-2-en-1-yl 4-methoxybenzoateDTXSID50836371
Database identifiers
- CAS
828268-12-8- PubChem CID
- 71417023
- DTXSID
DTXSID50836371
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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