Basic information
- CAS
97534-04-8- Standard SMILES
COc1c(Cl)cc(Oc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1Cl- InChIKey
IWKRATHISKDEQI-UHFFFAOYSA-N- Molecular formula
- C13H6Cl6O2
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 403.849896
Names & identifiers
- Preferred name
- Benzene, 1-methoxy-2,3,6-trichloro-4-(2,4,6-trichlorophenoxy)-
- IUPAC
- 1,3,4-trichloro-2-methoxy-5-(2,4,6-trichlorophenoxy)benzene
Names & synonyms
Benzene, 1-methoxy-2,3,6-trichloro-4-(2,4,6-trichlorophenoxy)-97534-04-81,3,4-trichloro-2-methoxy-5-(2,4,6-trichlorophenoxy)benzeneDTXSID80243019
Database identifiers
- CAS
97534-04-8- PubChem CID
- 57256
- DTXSID
DTXSID80243019- Nikkaji
- J1.597.887B
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
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