Basic information
- CAS
91846-75-2- Standard SMILES
COC(=O)c1nc(Cl)[nH]c1CC#N- InChIKey
HSVYJXNGLITLFC-UHFFFAOYSA-N- Molecular formula
- C7H6ClN3O2
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0148541
Names & identifiers
- Preferred name
- methyl 2-chloro-5-(cyanomethyl)-1H-imidazole-4-carboxylate
- IUPAC
- methyl 2-chloro-5-(cyanomethyl)-1H-imidazole-4-carboxylate
Names & synonyms
methyl 2-chloro-5-(cyanomethyl)-1H-imidazole-4-carboxylate91846-75-2NSC344515DTXSID50319376NSC-344515
Database identifiers
- CAS
91846-75-2- PubChem CID
- 335403
- DTXSID
DTXSID50319376
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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