Basic information
- Standard SMILES
COC(=O)C(C)(C)Oc1cc(F)c(Cl)cc1C=O- InChIKey
QMBWNWSFEWENAC-UHFFFAOYSA-N- Molecular formula
- C12H12ClFO4
- Average molar mass
- 274.67 g/mol
- Monoisotopic mass
- 274.0408147
Names & identifiers
- Preferred name
- 2-(4-Chloro-5-fluoro-2-formyl-phenoxy)-2-methyl-propionic acid methyl ester
- IUPAC
- methyl 2-(4-chloro-5-fluoro-2-formylphenoxy)-2-methylpropanoate
Names & synonyms
SCHEMBL691591QMBWNWSFEWENAC-UHFFFAOYSA-N2-(4-chloro-5-fluoro-2-formyl-phenoxy)-2-methyl-propionic acid methyl ester
Database identifiers
- PubChem CID
- 59549306
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
3 records
Compound notes
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