Phenol, 2,2'-methylenebis(3,4,5-trichloro-
Basic information
- CAS
584-33-8- Standard SMILES
Oc1cc(Cl)c(Cl)c(Cl)c1Cc1c(O)cc(Cl)c(Cl)c1Cl- InChIKey
UCBOFBICDFOMBG-UHFFFAOYSA-N- Molecular formula
- C13H6Cl6O2
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 403.849896
Names & identifiers
- Preferred name
- Phenol, 2,2'-methylenebis(3,4,5-trichloro-
- IUPAC
- 3,4,5-trichloro-2-[(2,3,4-trichloro-6-hydroxyphenyl)methyl]phenol
Names & synonyms
2,2'-Methylenebis(3,4,5-trichlorophenol)BRN 3470385Phenol, 2,2'-methylenebis(3,4,5-trichloro-584-33-8Phenol, 3,4,5-trichloro-2,2'-methylenebis-DTXSID102071094-06-00-06660 (Beilstein Handbook Reference)RefChem:368881DTXCID60129600
Database identifiers
- CAS
584-33-8- PubChem CID
- 68506
- DTXSID
DTXSID10207109- Nikkaji
- J50.153K
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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