Basic information
- Standard SMILES
CC(C)(C)OC(=O)Cn1ccnc1[N+](=O)[O-]- InChIKey
WUOFFGDZUYMRFU-UHFFFAOYSA-N- Molecular formula
- C9H13N3O4
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.0906059
Names & identifiers
- Preferred name
- Tert-butyl-(2-nitro-imidazol-1-yl)acetate
- IUPAC
- tert-butyl 2-(2-nitroimidazol-1-yl)acetate
Names & synonyms
SCHEMBL9960501WUOFFGDZUYMRFU-UHFFFAOYSA-Ntert-butyl-(2-nitro-imidazol-1-yl)acetate
Database identifiers
- PubChem CID
- 14555697
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
2 records
Compound notes
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