1-Methyl-1H-imidazole-4-carbonyl chloride hydrochloride
Basic information
- CAS
912468-80-5- Standard SMILES
Cl.Cn1cnc(C(=O)Cl)c1- InChIKey
HVVHNDCZXDNLMC-UHFFFAOYSA-N- Molecular formula
- C5H6Cl2N2O
- Average molar mass
- 181.02 g/mol
- Monoisotopic mass
- 179.9857182
Names & identifiers
- Preferred name
- 1-Methyl-1H-imidazole-4-carbonyl chloride hydrochloride
- IUPAC
- 1-methylimidazole-4-carbonyl chloride;hydrochloride
Names & synonyms
912468-80-51-Methyl-1H-imidazole-4-carbonyl chloride hydrochlorideMFCD154790861H-Imidazole-4-carbonyl chloride, 1-methyl-, hydrochloride (1:1)SCHEMBL709418HVVHNDCZXDNLMC-UHFFFAOYSA-NAT523401-Methyl-1H-imidazole-4-carbonyl chloride HCL1-methylimidazole-4-carbonyl chloride;hydrochloride1-Methyl-1H-imidazole-4-carbonylchloridehydrochloride
Database identifiers
- CAS
912468-80-5- PubChem CID
- 51341981
Properties
Computed structural properties
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
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Related reactions
1 records
Compound notes
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