1,3-Benzodioxole, 4,5,6,7-tetrachloro-2-phenyl-
Basic information
- CAS
91821-49-7- Standard SMILES
Clc1c(Cl)c(Cl)c2c(c1Cl)OC(c1ccccc1)O2- InChIKey
LQGXPKKLQYWOEO-UHFFFAOYSA-N- Molecular formula
- C13H6Cl4O2
- Average molar mass
- 336 g/mol
- Monoisotopic mass
- 333.91219
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 4,5,6,7-tetrachloro-2-phenyl-
- IUPAC
- 4,5,6,7-tetrachloro-2-phenyl-1,3-benzodioxole
Names & synonyms
1,3-Benzodioxole, 4,5,6,7-tetrachloro-2-phenyl-91821-49-7DTXSID903730934,5,6,7-TETRACHLORO-2-PHENYL-2H-1,3-BENZODIOXOLEAKOS004902545
Database identifiers
- CAS
91821-49-7- PubChem CID
- 2755419
- DTXSID
DTXSID90373093- Nikkaji
- J1.774.335J
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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