Basic information
- Standard SMILES
CCOc1cc(C(=O)O)cc(Cl)c1OCC- InChIKey
MEADRIRYKFSBDO-UHFFFAOYSA-N- Molecular formula
- C11H13ClO4
- Average molar mass
- 244.67 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4,5-diethoxybenzoic acid
- IUPAC
- 3-chloro-4,5-diethoxybenzoic acid
Names & synonyms
3-chloro-4,5-diethoxybenzoic acid766523-19-73-chloro-4,5-diethoxy-benzoic Acid3-chloro-4,5-bis(ethyloxy)benzoic acidSCHEMBL14207453-chloro-4,5-diethoxybenzoicacidMEADRIRYKFSBDO-UHFFFAOYSA-NSTK180285AKOS005410924DA-23817CS-0326432
Database identifiers
- PubChem CID
- 4694880
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
2 records
Compound notes
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