Basic information
- CAS
138588-63-3- Standard SMILES
Oc1cc(Cl)c(Cl)cc1-c1cc(Cl)c(Cl)cc1Cl- InChIKey
BNLOVGAGARVFKO-UHFFFAOYSA-N- Molecular formula
- C12H5Cl5O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 339.878303
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-2-ol, 2',4,4',5,5'-pentachloro-
- IUPAC
- 4,5-dichloro-2-(2,4,5-trichlorophenyl)phenol
Names & synonyms
138588-63-3(1,1'-Biphenyl)-2-ol, 2',4,4',5,5'-pentachloro-2',4,4',5,5'-Pentachloro-(1,1'-biphenyl)-2-olSCHEMBL9732416DTXSID301607222',4,4',5,5'-Pentachloro[1,1'-biphenyl]-2-ol
Database identifiers
- CAS
138588-63-3- PubChem CID
- 178505
- DTXSID
DTXSID30160722- Nikkaji
- J533.279F
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- 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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