Basic information
- CAS
827598-95-8- Standard SMILES
BrC1=CC=C=CC=C1- InChIKey
HHFYTICDFYMMQC-UHFFFAOYSA-N- Molecular formula
- C7H5Br
- Average molar mass
- 169.02 g/mol
- Monoisotopic mass
- 167.95746
Names & identifiers
- Preferred name
- 5-Bromocyclohepta-1,2,4,6-tetraene
- IUPAC
- 5-bromocyclohepta-1,2,4,6-tetraene
Names & synonyms
5-Bromocyclohepta-1,2,4,6-tetraene827598-95-8SCHEMBL21370927DTXSID70836671
Database identifiers
- CAS
827598-95-8- PubChem CID
- 71417331
- DTXSID
DTXSID70836671
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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