1,5-Dichloro-2,3,4-trimethoxybenzene
Basic information
- CAS
99849-00-0- Standard SMILES
COc1c(Cl)cc(Cl)c(OC)c1OC- InChIKey
YKVPBSSGUIMWMU-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2O3
- Average molar mass
- 237.08 g/mol
- Monoisotopic mass
- 236.0006996
Names & identifiers
- Preferred name
- 1,5-Dichloro-2,3,4-trimethoxybenzene
- IUPAC
- 1,5-dichloro-2,3,4-trimethoxybenzene
- English name
- 1,5-Dichloro-2,3,4-trimethoxybenzene
- Molecular formula
- C9H10Cl2O3
- Molecular weight
- 237.08
Names & synonyms
1,5-DICHLORO-2,3,4-TRIMETHOXYBENZENE99849-00-0dichlorotrimethoxybenzeneSCHEMBL3392812DTXSID902442741,5-Dichloro-2,3,4-trimethoxy-benzene4,6-dichloro-1,2,3-trimethoxybenzeneBenzene, 1,5-dichloro-2,3,4-trimethoxy-
Database identifiers
- CAS
99849-00-0- PubChem CID
- 57546
- DTXSID
DTXSID90244274- Nikkaji
- J569.080C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…