Octyl 3,6-dichloro-2-methoxybenzoate
Basic information
- CAS
405297-29-2- Standard SMILES
CCCCCCCCOC(=O)c1c(Cl)ccc(Cl)c1OC- InChIKey
SRLJFCZYMHFDRO-UHFFFAOYSA-N- Molecular formula
- C16H22Cl2O3
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.0945999
Names & identifiers
- Preferred name
- Octyl 3,6-dichloro-2-methoxybenzoate
- IUPAC
- octyl 3,6-dichloro-2-methoxybenzoate
Names & synonyms
OCTYL 3,6-DICHLORO-2-METHOXYBENZOATE405297-29-2DTXSID10514289
Database identifiers
- CAS
405297-29-2- PubChem CID
- 12979262
- DTXSID
DTXSID10514289
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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