1-Chloro-2,4-dimethoxy-3-methylbenzene
Basic information
- CAS
105103-98-8- Standard SMILES
COc1ccc(Cl)c(OC)c1C- InChIKey
HEDBIFMCQDNLML-UHFFFAOYSA-N- Molecular formula
- C9H11ClO2
- Average molar mass
- 186.63 g/mol
- Monoisotopic mass
- 186.0447573
Names & identifiers
- Preferred name
- 1-Chloro-2,4-dimethoxy-3-methylbenzene
- IUPAC
- 1-chloro-2,4-dimethoxy-3-methylbenzene
Names & synonyms
1-Chloro-2,4-dimethoxy-3-methylbenzene105103-98-8DTXSID70547038RefChem:229244DTXCID70497822Benzene, 1-chloro-2,4-dimethoxy-3-methyl-SCHEMBL312101SCHEMBL14417429DS-021622
Database identifiers
- CAS
105103-98-8- PubChem CID
- 13699340
- DTXSID
DTXSID70547038- Nikkaji
- J1.028.151B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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