Basic information
- Standard SMILES
COc1ccc(I)cc1C(=O)OC(C)C- InChIKey
MIRSELVIQVZQHW-UHFFFAOYSA-N- Molecular formula
- C11H13IO3
- Average molar mass
- 320.12 g/mol
- Monoisotopic mass
- 319.99094
Names & identifiers
- Preferred name
- Isopropyl 5-iodo-2-methoxybenzoate
- IUPAC
- propan-2-yl 5-iodo-2-methoxybenzoate
Names & synonyms
isopropyl 5-iodo-2-methoxybenzoate1354412-90-0SCHEMBL232890MIRSELVIQVZQHW-UHFFFAOYSA-NDB-297692
Database identifiers
- PubChem CID
- 58035637
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Related reactions
3 records
Compound notes
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