Basic information
- CAS
90841-50-2- Standard SMILES
CC(C)c1cc(=O)c(O)ccc1Br- InChIKey
XXRFBIMTKXBOTJ-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 5-Bromo-4-isopropyltropolone
- IUPAC
- 5-bromo-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Names & synonyms
5-Bromo-4-isopropyltropoloneXXRFBIMTKXBOTJ-UHFFFAOYSA-NDTXSID0010341695-Bromo-2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one90841-50-25-Bromo-2-hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one #
Database identifiers
- CAS
90841-50-2- PubChem CID
- 618072
- DTXSID
DTXSID001034169- Nikkaji
- J1.399.809D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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