Hydron;methyl 3-(1-phenylethyl)imidazole-4-carboxylate;chloride
Basic information
- CAS
36557-22-9- Standard SMILES
COC(=O)c1cncn1C(C)c1ccccc1.[Cl-].[H+]- InChIKey
NZEDTZKNEKPBGR-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O2
- Average molar mass
- 266.72 g/mol
- Monoisotopic mass
- 266.0822054
Overview
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Names & identifiers
- Preferred name
- Hydron;methyl 3-(1-phenylethyl)imidazole-4-carboxylate;chloride
- IUPAC
- hydron;methyl 3-(1-phenylethyl)imidazole-4-carboxylate;chloride
Names & synonyms
hydron;methyl 3-(1-phenylethyl)imidazole-4-carboxylate;chloride
Database identifiers
- CAS
36557-22-9- PubChem CID
- 653377
Properties
Computed structural properties
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
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Compound notes
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