1,2,5-Trichloro-3,4-dimethoxybenzene
Basic information
- CAS
85298-07-3- Standard SMILES
COc1c(Cl)cc(Cl)c(Cl)c1OC- InChIKey
BGWJOOFPIQFVOT-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3O2
- Average molar mass
- 241.5 g/mol
- Monoisotopic mass
- 239.951163
Names & identifiers
- Preferred name
- 1,2,5-Trichloro-3,4-dimethoxybenzene
- IUPAC
- 1,2,5-trichloro-3,4-dimethoxybenzene
Names & synonyms
1,2,5-TRICHLORO-3,4-DIMETHOXYBENZENE3,4,6-Trichloroveratrole85298-07-3R3HD559T551,2-Dimethoxy-3,4,6-trichloro-benzeneUNII-R3HD559T55BGWJOOFPIQFVOT-UHFFFAOYSA-NDTXSID6010057861,2,5-Trichloro-3,4-dimethoxy-benzene1,2,5-Trichloro-3,4-dimethoxybenzene #Benzene, 3,4,6-trichloro-1,2-dimethoxyBenzene, 1,2,5-trichloro-3,4-dimethoxy-
Database identifiers
- CAS
85298-07-3- PubChem CID
- 55327
- DTXSID
DTXSID601005786- UNII
- R3HD559T55
- Nikkaji
- J690.162J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
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Compound notes
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