Basic information
- CAS
135008-87-6- Standard SMILES
Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Br)c1Br)O2- InChIKey
PBXHFYKXVLXNFK-UHFFFAOYSA-N- Molecular formula
- C12H3Br2Cl3O2
- Average molar mass
- 445.3 g/mol
- Monoisotopic mass
- 441.75654
Names & identifiers
- Preferred name
- Dibenzo(b,e)(1,4)dioxin, 1,2-dibromo-3,7,8-trichloro-
- IUPAC
- 1,2-dibromo-3,7,8-trichlorodibenzo-p-dioxin
Names & synonyms
135008-87-6Dibenzo(b,e)(1,4)dioxin, 1,2-dibromo-3,7,8-trichloro-DTXSID80159202RefChem:337072DTXCID90816931,2-dibromo-3,7,8-trichloro-dibenzo-p-dioxin1,2-dibromo-3,7,8-trichlorooxanthrenePBXHFYKXVLXNFK-UHFFFAOYSA-N
Database identifiers
- CAS
135008-87-6- PubChem CID
- 178231
- DTXSID
DTXSID80159202- Nikkaji
- J590.393I
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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