Basic information
- Standard SMILES
COC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1- InChIKey
KZTDPAXJYUMOQJ-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N2O2
- Average molar mass
- 271.1 g/mol
- Monoisotopic mass
- 269.9962829
Names & identifiers
- Preferred name
- 1-(3,4-Dichloro-phenyl)-1H-imidazole-4-carboxylic Acid Methyl Ester
- IUPAC
- methyl 1-(3,4-dichlorophenyl)imidazole-4-carboxylate
Names & synonyms
SCHEMBL4432842KZTDPAXJYUMOQJ-UHFFFAOYSA-N1-(3,4-Dichloro-phenyl)-1H-imidazole-4-carboxylic Acid Methyl Ester
Database identifiers
- PubChem CID
- 69041908
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Related reactions
4 records
Compound notes
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