Basic information
- CAS
23571-53-1- Standard SMILES
CCOC(=O)Cn1c(C)cnc1[N+](=O)[O-]- InChIKey
OIMZWTXIJSMDIS-UHFFFAOYSA-N- Molecular formula
- C8H11N3O4
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.07495584
Names & identifiers
- Preferred name
- Ethyl (5-methyl-2-nitro-1H-imidazol-1-yl)acetate
- IUPAC
- ethyl 2-(5-methyl-2-nitroimidazol-1-yl)acetate
Names & synonyms
23571-53-1DTXSID30946361ethyl (5-methyl-2-nitro-1H-imidazol-1-yl)acetateRefChem:1084684DTXCID4013746505-Methyl-2-nitroimidazole-1-acetic acid ethyl esterImidazole-1-acetic acid, 5-methyl-2-nitro-, ethyl ester
Database identifiers
- CAS
23571-53-1- PubChem CID
- 211786
- DTXSID
DTXSID30946361
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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