4,4'-Dibromo-7,7'-dimethoxy-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]
Basic information
- CAS
223137-76-6- Standard SMILES
COc1ccc(Br)c2c1C1(CC2)CCc2c(Br)ccc(OC)c21- InChIKey
CXSHFZOCKAZZTM-UHFFFAOYSA-N- Molecular formula
- C19H18Br2O2
- Average molar mass
- 438.2 g/mol
- Monoisotopic mass
- 435.96735
Names & identifiers
- Preferred name
- 4,4'-Dibromo-7,7'-dimethoxy-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]
- IUPAC
- 7,7'-dibromo-4,4'-dimethoxy-3,3'-spirobi[1,2-dihydroindene]
Names & synonyms
223137-76-64,4'-dibromo-7,7'-dimethoxy-2,2',3,3'-tetrahydro-1,1'-spirobi[indene](S)-4,4'-Dibromo-7,7'-dimethoxy-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]636601-26-84,4'-Dibromo-2,2',3,3'-tetrahydro-7,7'-dimethoxy-1,1'-spirobi[1H-indene]AGN-PC-00CN8LSCHEMBL13999137DTXSID304694444,4'-dibromo-7,7'-dimethoxy-1,1'-spirobiindane(R)-4,4'-Dibromo-7,7'-dimethoxy-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]
Database identifiers
- CAS
223137-76-6- PubChem CID
- 11611871
- DTXSID
DTXSID30469444
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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