Basic information
- Standard SMILES
COC(=O)c1cc(Cl)c(I)cc1OC- InChIKey
DOXZFKGJAATNEJ-UHFFFAOYSA-N- Molecular formula
- C9H8ClIO3
- Average molar mass
- 326.51 g/mol
Names & identifiers
- Preferred name
- Methyl 5-chloro-4-iodo-2-methoxybenzoate
- IUPAC
- methyl 5-chloro-4-iodo-2-methoxybenzoate
Names & synonyms
methyl 5-chloro-4-iodo-2-methoxybenzoate473574-26-4SCHEMBL5109796DOXZFKGJAATNEJ-UHFFFAOYSA-NMethyl5-chloro-4-iodo-2-methoxybenzoateE86028A1-082675-chloro-4-iodo-2-methoxy benzoic acid methyl ester5-Chloro-4-iodo-2-methoxy-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 69314795
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
8 records
Compound notes
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