Basic information
- CAS
88010-46-2- Standard SMILES
COc1ccc(Br)c(O)c1C- InChIKey
JFUGCYORRHETOR-UHFFFAOYSA-N- Molecular formula
- C8H9BrO2
- Average molar mass
- 217.06 g/mol
- Monoisotopic mass
- 215.97859
Names & identifiers
- Preferred name
- 6-Bromo-3-methoxy-2-methylphenol
- IUPAC
- 6-bromo-3-methoxy-2-methylphenol
Names & synonyms
88010-46-2Phenol, 6-bromo-3-methoxy-2-methyl-6-bromo-3-methoxy-2-methylphenolSCHEMBL2048539DTXSID30547039
Database identifiers
- CAS
88010-46-2- PubChem CID
- 13699347
- DTXSID
DTXSID30547039
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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