Basic information
- CAS
7233-11-6- Standard SMILES
O=C1OC2C(O1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Br- InChIKey
QJOHJBDDUHNFMO-UHFFFAOYSA-N- Molecular formula
- C8H2BrCl5O3
- Average molar mass
- 403.3 g/mol
- Monoisotopic mass
- 399.76299
Names & identifiers
- Preferred name
- Agn-PC-0LP4YI
- IUPAC
- 10-bromo-1,7,8,9,10-pentachloro-3,5-dioxatricyclo[5.2.1.02,6]dec-8-en-4-one
Names & synonyms
7233-11-6AGN-PC-0LP4YIDTXSID204131538-Bromo-4,5,6,7,8-pentachloro-3a,4,7,7a-tetrahydro-2H-4,7-methano-1,3-benzodioxol-2-one
Database identifiers
- CAS
7233-11-6- PubChem CID
- 5249092
- DTXSID
DTXSID20413153
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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