2,2',3,3',5,5',6-Heptachloro[1,1'-biphenyl]-4,4'-diol
Basic information
- Standard SMILES
Oc1c(Cl)cc(-c2c(Cl)c(Cl)c(O)c(Cl)c2Cl)c(Cl)c1Cl- InChIKey
AOHPCHXPSGRFOH-UHFFFAOYSA-N- Molecular formula
- C12H3Cl7O2
- Average molar mass
- 427.3 g/mol
- Monoisotopic mass
- 423.795273
Names & identifiers
- Preferred name
- 2,2',3,3',5,5',6-Heptachloro[1,1'-biphenyl]-4,4'-diol
- IUPAC
- 2,3,5,6-tetrachloro-4-(2,3,5-trichloro-4-hydroxyphenyl)phenol
Names & synonyms
SCHEMBL5948652DTXSID8010209962,2',3,3',5,5',6-Heptachloro[1,1'-biphenyl]-4,4'-diol
Database identifiers
- PubChem CID
- 22178293
- DTXSID
DTXSID801020996
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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