Basic information
- CAS
18504-27-3- Standard SMILES
Cc1nc([N+](=O)[O-])cn1CCBr- InChIKey
CSQXNWZCQFPOFB-UHFFFAOYSA-N- Molecular formula
- C6H8BrN3O2
- Average molar mass
- 234.05 g/mol
- Monoisotopic mass
- 232.97999
Names & identifiers
- Preferred name
- Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-
- IUPAC
- 1-(2-bromoethyl)-2-methyl-4-nitroimidazole
Names & synonyms
BRN 0610470Imidazole, 1-(2-bromoethyl)-2-methyl-4-nitro-1-(2-Bromoethyl)-2-methyl-4-nitroimidazole18504-27-3DTXSID001717045-23-05-00077 (Beilstein Handbook Reference)RefChem:348832DTXCID10941951-(2-bromoethyl)-2-methyl-4-nitro-1H-imidazoleSCHEMBL10825501
Database identifiers
- CAS
18504-27-3- PubChem CID
- 87684
- DTXSID
DTXSID00171704- Nikkaji
- J49.312K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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