Carbamic acid, (1-methyl-5-nitro-2-imidazolyl)-, ethyl ester
Basic information
- CAS
100836-58-6- Standard SMILES
CCOC(=O)Nc1ncc([N+](=O)[O-])n1C- InChIKey
VILMBXAKVNWOSJ-UHFFFAOYSA-N- Molecular formula
- C7H10N4O4
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.07020481
Names & identifiers
- Preferred name
- Carbamic acid, (1-methyl-5-nitro-2-imidazolyl)-, ethyl ester
- IUPAC
- ethyl N-(1-methyl-5-nitroimidazol-2-yl)carbamate
Names & synonyms
100836-58-6CARBAMIC ACID, (1-METHYL-5-NITRO-2-IMIDAZOLYL)-, ETHYL ESTER(1-Methyl-5-nitro-2-imidazolyl)carbamic acid ethyl esterDTXSID10143533ethyl (1-methyl-5-nitro-1H-imidazol-2-yl)carbamate
Database identifiers
- CAS
100836-58-6- PubChem CID
- 58044
- DTXSID
DTXSID10143533- Nikkaji
- J69.346D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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