1,1'-[Dodecane-1,12-diylbis(oxy)]bis[4-(bromomethyl)benzene]
Basic information
- CAS
114315-76-3- Standard SMILES
BrCc1ccc(OCCCCCCCCCCCCOc2ccc(CBr)cc2)cc1- InChIKey
CTGUXEOJTNKQGM-UHFFFAOYSA-N- Molecular formula
- C26H36Br2O2
- Average molar mass
- 540.4 g/mol
- Monoisotopic mass
- 538.10821
Names & identifiers
- Preferred name
- 1,1'-[Dodecane-1,12-diylbis(oxy)]bis[4-(bromomethyl)benzene]
- IUPAC
- 1-(bromomethyl)-4-[12-[4-(bromomethyl)phenoxy]dodecoxy]benzene
Names & synonyms
114315-76-3SCHEMBL10614694DTXSID306030431,1'-[Dodecane-1,12-diylbis(oxy)]bis[4-(bromomethyl)benzene]
Database identifiers
- CAS
114315-76-3- PubChem CID
- 20155867
- DTXSID
DTXSID30603043
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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