methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
Basic information
- CAS
92380-76-2- Standard SMILES
COC(=O)Cc1[nH]c(Cl)nc1C(=O)OC- InChIKey
YEYHVIUAVKWSFP-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O4
- Average molar mass
- 232.62 g/mol
- Monoisotopic mass
- 232.0250845
Names & identifiers
- Preferred name
- methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
- IUPAC
- methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
Names & synonyms
92380-76-2methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylateNSC34768DTXSID40283996NSC-34768
Database identifiers
- CAS
92380-76-2- PubChem CID
- 234597
- DTXSID
DTXSID40283996
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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