Basic information
- Standard SMILES
COC(=O)c1c(Cl)cc(CO)cc1Cl- InChIKey
CQQKBLLNQYUCEX-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O3
- Average molar mass
- 235.06 g/mol
Names & identifiers
- Preferred name
- Methyl 2,6-dichloro-4-(hydroxymethyl)benzoate
- IUPAC
- methyl 2,6-dichloro-4-(hydroxymethyl)benzoate
Names & synonyms
methyl 2,6-dichloro-4-(hydroxymethyl)benzoateSCHEMBL522845CQQKBLLNQYUCEX-UHFFFAOYSA-N1415124-95-6
Database identifiers
- PubChem CID
- 66712920
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
4 records
Compound notes
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