Basic information
- CAS
97534-06-0- Standard SMILES
COc1c(Cl)cc(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl- InChIKey
ROGWOMRLVVJRDN-UHFFFAOYSA-N- Molecular formula
- C13H5Cl7O2
- Average molar mass
- 441.3 g/mol
- Monoisotopic mass
- 437.810923
Names & identifiers
- Preferred name
- Benzene, 1,2,3,5-tetrachloro-4-(2,3,5-trichloro-4-methoxyphenoxy)-
- IUPAC
- 1,2,3,5-tetrachloro-4-(2,3,5-trichloro-4-methoxyphenoxy)benzene
Names & synonyms
Benzene, 1,2,3,5-tetrachloro-4-(2,3,5-trichloro-4-methoxyphenoxy)-97534-06-01,2,3,5-tetrachloro-4-(2,3,5-trichloro-4-methoxyphenoxy)benzeneDTXSID50243021
Database identifiers
- CAS
97534-06-0- PubChem CID
- 57258
- DTXSID
DTXSID50243021- Nikkaji
- J1.597.904F
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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