4-Bromobutylcyclooctatetraene
Basic information
- CAS
55538-75-5- Standard SMILES
BrCCCCC1=CC=CC=CC=C1- InChIKey
HRKPIHIBFOZXNH-UHFFFAOYSA-N- Molecular formula
- C12H15Br
- Average molar mass
- 239.15 g/mol
- Monoisotopic mass
- 238.03571
Names & identifiers
- Preferred name
- 4-Bromobutylcyclooctatetraene
- IUPAC
- 4-bromobutylcyclooctatetraene
- English name
- 1-(4-Bromobutyl)cyclooctatetraene
- Molecular formula
- C12H15Br
- Molecular weight
- 239.15
Names & synonyms
55538-75-54-bromobutylcyclooctatetraeneDTXSID40341823DB-2498771-(4-Bromobutyl)-1,3,5,7-cyclooctatetraene1-(4-bromobutyl)cycloocta-1,3,5,7-tetraene1-(4-Bromobutyl)cyclooctatetraene1,3,5,7-Cyclooctatetraene, 1-(4-bromobutyl)-
Database identifiers
- CAS
55538-75-5- PubChem CID
- 575997
- DTXSID
DTXSID40341823
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 319 · 319.0±21.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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