11,12-Dibromo-1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene
Basic information
- CAS
67102-98-1- Standard SMILES
ClC1=C(Cl)C2(Cl)C3C(c4cc(Br)c(Br)cc4C4C3C3(Cl)C(Cl)=C(Cl)C4(Cl)C3(Cl)Cl)C1(Cl)C2(Cl)Cl- InChIKey
KHPUTZCTTORBDN-UHFFFAOYSA-N- Molecular formula
- C20H6Br2Cl12
- Average molar mass
- 831.5 g/mol
- Monoisotopic mass
- 823.50986
Names & identifiers
- Preferred name
- 11,12-Dibromo-1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene
- IUPAC
- 11,12-dibromo-1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene
- English name
- KHPUTZCTTORBDN-UHFFFAOYSA-N
- Molecular formula
- C20H6Br2Cl12
- Molecular weight
- 831.50564
Names & synonyms
NSC27072867102-98-1DTXSID20330538AKOS024430563NSC-27072810,11-Dibromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenyleneKHPUTZCTTORBDN-UHFFFAOYSA-N
Database identifiers
- CAS
67102-98-1- PubChem CID
- 430306
- DTXSID
DTXSID20330538
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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