1-(4-Nitro-imidazol-1-yl)-cyclobutanecarboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)C1(n2cnc([N+](=O)[O-])c2)CCC1- InChIKey
BQCLRCQKIFDZQR-UHFFFAOYSA-N- Molecular formula
- C9H11N3O4
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.07495584
Names & identifiers
- Preferred name
- 1-(4-Nitro-imidazol-1-yl)-cyclobutanecarboxylic acid methyl ester
- IUPAC
- methyl 1-(4-nitroimidazol-1-yl)cyclobutane-1-carboxylate
Names & synonyms
SCHEMBL2983209BQCLRCQKIFDZQR-UHFFFAOYSA-N1-(4-Nitro-imidazol-1-yl)-cyclobutanecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 68465950
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Related reactions
2 records
Compound notes
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