Basic information
- CAS
2181002-69-5- Standard SMILES
Brc1ccc(-c2c(Br)cccc2Br)c(Br)c1Br- InChIKey
OOFLUQIAQIJJMT-UHFFFAOYSA-N- Molecular formula
- C12H5Br5
- Average molar mass
- 548.7 g/mol
- Monoisotopic mass
- 543.63081
Names & identifiers
- Preferred name
- 2,2',3,4,6'-Pentabromobiphenyl
- IUPAC
- 1,2,3-tribromo-4-(2,6-dibromophenyl)benzene
Names & synonyms
2,2',3,4,6'-pentabromobiphenylQJK06HV3O2PBB 89DTXSID9010448482181002-69-5Q27287295
Database identifiers
- CAS
2181002-69-5- PubChem CID
- 13828343
- DTXSID
DTXSID901044848- UNII
- QJK06HV3O2
- Nikkaji
- J111.171J
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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