Basic information
- CAS
68099-36-5- Standard SMILES
Clc1ccc(Cl)c(C2=C(Br)C3OC3C(Br)=C2)c1- InChIKey
ZLWPWLKKZDGHEC-UHFFFAOYSA-N- Molecular formula
- C12H6Br2Cl2O
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 393.81625
Names & identifiers
- Preferred name
- 2,5-Dibromo-3-(2,5-dichlorophenyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
- IUPAC
- 2,5-dibromo-3-(2,5-dichlorophenyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
Names & synonyms
68099-36-52,5-dibromo-3-(2,5-dichlorophenyl)-7-oxabicyclo[4.1.0]hepta-2,4-dieneDTXSID009875697-Oxabicyclo(4.1.0)hepta-2,4-diene, 2,5-dibromo-3-(2,5-dichlorophenyl)-
Database identifiers
- CAS
68099-36-5- PubChem CID
- 190018
- DTXSID
DTXSID00987569
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…