Basic information
- Standard SMILES
COC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1- InChIKey
BZGWUEFCUVETLA-UHFFFAOYSA-N- Molecular formula
- C11H12Cl2O3
- Average molar mass
- 263.11 g/mol
Names & identifiers
- Preferred name
- Methyl 3,5-dichloro-4-isopropoxybenzoate
- IUPAC
- methyl 3,5-dichloro-4-propan-2-yloxybenzoate
Names & synonyms
methyl 3,5-dichloro-4-isopropoxybenzoate856165-88-3MFCD28127373SCHEMBL3949729BZGWUEFCUVETLA-UHFFFAOYSA-Nmethyl 3,5-dichloro-4-isopropoxy-benzoateDS-017524CS-0194158methyl 3,5-dichloro-4-propan-2-yloxybenzoateE93324F631715
Database identifiers
- PubChem CID
- 58438776
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Related reactions
2 records
Compound notes
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