Basic information
- Standard SMILES
C#CCOc1ccc(C(=O)Cl)cc1OC- InChIKey
MLQCWAWJYAIGBQ-UHFFFAOYSA-N- Molecular formula
- C11H9ClO3
- Average molar mass
- 224.64 g/mol
Names & identifiers
- Preferred name
- 3-Methoxy-4-(2-propynyloxy)benzoyl chloride
- IUPAC
- 3-methoxy-4-prop-2-ynoxybenzoyl chloride
Names & synonyms
3-methoxy-4-(2-propynyloxy)benzoyl chlorideSCHEMBL2286198MLQCWAWJYAIGBQ-UHFFFAOYSA-N4-(2-propynyloxy)-3-methoxybenzoyl chloride
Database identifiers
- PubChem CID
- 57445671
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 268
Related reactions
15 records
Compound notes
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