Basic information
- Standard SMILES
COC(=O)c1cc(Cl)c(Cl)cc1C=O- InChIKey
KXSQDTCGXASXTN-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2O3
- Average molar mass
- 233.04 g/mol
Names & identifiers
- Preferred name
- Methyl 4,5-dichloro-2-formylbenzoate
- IUPAC
- methyl 4,5-dichloro-2-formylbenzoate
Names & synonyms
1256593-25-5Methyl 4,5-dichloro-2-formylbenzoateSCHEMBL852311Benzoic acid, 4,5-dichloro-2-formyl-, methyl esterKXSQDTCGXASXTN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86647797
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Related reactions
2 records
Compound notes
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