Basic information
- CAS
122418-69-3- Standard SMILES
Clc1cc2c(cc1Br)Oc1cc(Cl)c(Br)cc1O2- InChIKey
ALXACOMVHRTTAU-UHFFFAOYSA-N- Molecular formula
- C12H4Br2Cl2O2
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 407.79551
Names & identifiers
- Preferred name
- 2,7-Dibromo-3,8-dichlorooxanthrene
- IUPAC
- 2,7-dibromo-3,8-dichlorodibenzo-p-dioxin
Names & synonyms
2,7-Dibromo-3,8-dichlorooxanthrene122418-69-3DTXSID70153597RefChem:248729DTXCID1076088Dibenzodioxin, 2,7-dibromo-, 3,8-dichloro-2,7-dibromo,3,8-dichloro-dibenzo-dioxinALXACOMVHRTTAU-UHFFFAOYSA-N
Database identifiers
- CAS
122418-69-3- PubChem CID
- 180100
- DTXSID
DTXSID70153597- Nikkaji
- J590.364E
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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