Basic information
- CAS
100310-85-8- Standard SMILES
CC1=COc2cc(Cl)c(Cl)cc2O1- InChIKey
YKJSLNHOYZCUHS-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2O2
- Average molar mass
- 217.05 g/mol
- Monoisotopic mass
- 215.9744848
Names & identifiers
- Preferred name
- 1,4-Benzodioxin, 6,7-dichloro-2-methyl-
- IUPAC
- 6,7-dichloro-3-methyl-1,4-benzodioxine
Names & synonyms
2-Methyl-6,7-dichloro-1,4-benzodioxin6,7-Dichloro-2-methyl-1,4-benzodioxin1,4-BENZODIOXIN, 6,7-DICHLORO-2-METHYL-100310-85-8DTXSID70143135RefChem:220102DTXCID20656266,7-dichloro-2-methyl-1,4-benzodioxine
Database identifiers
- CAS
100310-85-8- PubChem CID
- 57709
- DTXSID
DTXSID70143135- Nikkaji
- J71.458E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…