Basic information
- CAS
80638-98-8- Standard SMILES
COc1ccc(C(=O)OCC(C)Br)cc1- InChIKey
LVNPYBCCHXHYOU-UHFFFAOYSA-N- Molecular formula
- C11H13BrO3
- Average molar mass
- 273.12 g/mol
- Monoisotopic mass
- 272.00481
Names & identifiers
- Preferred name
- 2-Bromopropyl 4-methoxybenzoate
- IUPAC
- 2-bromopropyl 4-methoxybenzoate
Names & synonyms
2-Bromopropyl 4-methoxybenzoate80638-98-8DTXSID10546080
Database identifiers
- CAS
80638-98-8- PubChem CID
- 13661925
- DTXSID
DTXSID10546080
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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