Basic information
- CAS
51318-83-3- Standard SMILES
COc1cc(Oc2c(OC)cc(Br)cc2OC)cc(OC)c1OC- InChIKey
SQDSFSHEZOMCBY-UHFFFAOYSA-N- Molecular formula
- C17H19BrO6
- Average molar mass
- 399.2 g/mol
- Monoisotopic mass
- 398.0365
Names & identifiers
- Preferred name
- 5-Bromo-1,3-dimethoxy-2-(3,4,5-trimethoxyphenoxy)benzene
- IUPAC
- 5-bromo-1,3-dimethoxy-2-(3,4,5-trimethoxyphenoxy)benzene
Names & synonyms
51318-83-35-bromo-1,3-dimethoxy-2-(3,4,5-trimethoxyphenoxy)benzeneNSC237505DTXSID30311015NSC-2375055-(4-Bromo-2,6-dimethoxyphenoxy)-1,2,3-trimethoxybenzene
Database identifiers
- CAS
51318-83-3- PubChem CID
- 314904
- DTXSID
DTXSID30311015
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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