Basic information
- CAS
2539-13-1- Standard SMILES
COc1c(Cl)c(Cl)c(Cl)c(OC)c1OC- InChIKey
JDWAFWGCMUKWGJ-UHFFFAOYSA-N- Molecular formula
- C9H9Cl3O3
- Average molar mass
- 271.5 g/mol
- Monoisotopic mass
- 269.961727
Names & identifiers
- Preferred name
- 1,2,3-Trichloro-4,5,6-trimethoxybenzene
- IUPAC
- 1,2,3-trichloro-4,5,6-trimethoxybenzene
- English name
- Benzene, 1,2,3-trichloro-4,5,6-trimethoxy-
- Molecular formula
- C9H9Cl3O3
- Molecular weight
- 271.52
Names & synonyms
1,2,3-TRICHLORO-4,5,6-TRIMETHOXYBENZENE2539-13-11,2,3-trichloro-4,5,6-trimethoxy-benzeneBenzene, trichlorotrimethoxy-TrichlorotrimethoxybenzeneBenzene, 1,2,3-trichloro-4,5,6-trimethoxy-77223-56-4JDWAFWGCMUKWGJ-UHFFFAOYSA-NDB-215763
Database identifiers
- CAS
2539-13-1、77223-56-4- PubChem CID
- 17342
- Nikkaji
- J569.089G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP4.8
Physicochemical properties
- Boiling point
- 319.3 · 319.3±37.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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