Basic information
- CAS
59335-89-6- Standard SMILES
COc1cc(CCl)cc(OC)c1C- InChIKey
QDFQAQGWKDDPHR-UHFFFAOYSA-N- Molecular formula
- C10H13ClO2
- Average molar mass
- 200.66 g/mol
- Monoisotopic mass
- 200.0604073
Names & identifiers
- Preferred name
- 5-(Chloromethyl)-1,3-dimethoxy-2-methylbenzene
- IUPAC
- 5-(chloromethyl)-1,3-dimethoxy-2-methylbenzene
Names & synonyms
5-(Chloromethyl)-1,3-dimethoxy-2-methylbenzene59335-89-6Benzene, 5-(chloromethyl)-1,3-dimethoxy-2-methyl-DTXSID40787166EN300-1967655
Database identifiers
- CAS
59335-89-6- PubChem CID
- 71363652
- DTXSID
DTXSID40787166
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…