Basic information
- Standard SMILES
COC(=O)c1c(OC(C)=O)cc(CBr)cc1OC(C)=O- InChIKey
QAHHWNSEVCDGLE-UHFFFAOYSA-N- Molecular formula
- C13H13BrO6
- Average molar mass
- 345.14 g/mol
Names & identifiers
- Preferred name
- Methyl 4-bromomethyl-2,6-diacetoxybenzoate
- IUPAC
- methyl 2,6-diacetyloxy-4-(bromomethyl)benzoate
Names & synonyms
SCHEMBL6292873QAHHWNSEVCDGLE-UHFFFAOYSA-NMethyl 4-bromomethyl-2,6-diacetoxybenzoatemethyl 4-bromomethyl-2,6-diacetoxy-benzoateMethyl 4-(bromomethyl)-2,6-diacetoxybenzoate
Database identifiers
- PubChem CID
- 22556044
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Related reactions
14 records
Compound notes
Loading…