Basic information
- Standard SMILES
COC(=O)C(C)(C)COc1ccc(Cl)cc1C=O- InChIKey
ROZSCOBKHMLDSW-UHFFFAOYSA-N- Molecular formula
- C13H15ClO4
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.0658866
Names & identifiers
- Preferred name
- 3-(4-Chloro-2-formyl-phenoxy)-2,2-dimethyl-propionic acid methyl ester
- IUPAC
- methyl 3-(4-chloro-2-formylphenoxy)-2,2-dimethylpropanoate
Names & synonyms
SCHEMBL2417929ROZSCOBKHMLDSW-UHFFFAOYSA-NAKOS0181808493-(4-chloro-2-formyl-phenoxy)-2,2-dimethyl-propionic acid methyl ester
Database identifiers
- PubChem CID
- 57566060
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
5 records
Compound notes
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