Basic information
- CAS
116250-57-8- Standard SMILES
COCc1c(Br)c(C)c(O)c(C)c1Br- InChIKey
QJHKCAYODUADMH-UHFFFAOYSA-N- Molecular formula
- C10H12Br2O2
- Average molar mass
- 324.01 g/mol
- Monoisotopic mass
- 321.9204
Names & identifiers
- Preferred name
- 3,5-Dibromo-4-(methoxymethyl)-2,6-dimethylphenol
- IUPAC
- 3,5-dibromo-4-(methoxymethyl)-2,6-dimethylphenol
Names & synonyms
116250-57-83,5-Dibromo-4-(methoxymethyl)-2,6-dimethylphenolSCHEMBL9813429DTXSID00602987
Database identifiers
- CAS
116250-57-8- PubChem CID
- 20148764
- DTXSID
DTXSID00602987
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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