Basic information
- CAS
90985-96-9- Standard SMILES
COc1c(Cl)cc(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl- InChIKey
SCWOZNHPKNRFOS-UHFFFAOYSA-N- Molecular formula
- C13H6Cl6O2
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 403.849896
Names & identifiers
- Preferred name
- 1,2,3,5-Tetrachloro-4-(3,5-dichloro-4-methoxyphenoxy)benzene
- IUPAC
- 1,2,3,5-tetrachloro-4-(3,5-dichloro-4-methoxyphenoxy)benzene
Names & synonyms
1,2,3,5-Tetrachloro-4-(3,5-dichloro-4-methoxyphenoxy)benzene90985-96-9DTXSID30238339
Database identifiers
- CAS
90985-96-9- PubChem CID
- 94702
- DTXSID
DTXSID30238339- Nikkaji
- J1.598.271C
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…