Basic information
- CAS
50848-61-8- Standard SMILES
COCOc1cc(C)c(OCOC)c(Br)c1- InChIKey
PPWCFAUHVMYHRG-UHFFFAOYSA-N- Molecular formula
- C11H15BrO4
- Average molar mass
- 291.14 g/mol
- Monoisotopic mass
- 290.01537
Names & identifiers
- Preferred name
- 1-Bromo-2,5-bis(methoxymethoxy)-3-methylbenzene
- IUPAC
- 1-bromo-2,5-bis(methoxymethoxy)-3-methylbenzene
Names & synonyms
1-bromo-2,5-bis(methoxymethoxy)-3-methylbenzene50848-61-8RefChem:228305SCHEMBL14514638DTXSID801243807
Database identifiers
- CAS
50848-61-8- PubChem CID
- 11630688
- DTXSID
DTXSID801243807- Nikkaji
- J1.421.587E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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