1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2,4-dinitro-
Basic information
- CAS
73334-41-5- Standard SMILES
O=[N+]([O-])c1cn(CC(O)CCl)c([N+](=O)[O-])n1- InChIKey
LBESQTCUXCSDTI-UHFFFAOYSA-N- Molecular formula
- C6H7ClN4O5
- Average molar mass
- 250.6 g/mol
- Monoisotopic mass
- 250.010497
Names & identifiers
- Preferred name
- 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2,4-dinitro-
- IUPAC
- 1-chloro-3-(2,4-dinitroimidazol-1-yl)propan-2-ol
Names & synonyms
73334-41-51H-Imidazole-1-ethanol, alpha-(chloromethyl)-2,4-dinitro-1-chloro-3-(2,4-dinitroimidazol-1-yl)propan-2-olCHEMBL158301DTXSID509940661-Chloro-3-(2,4-dinitro-1H-imidazol-1-yl)propan-2-ol1H-Imidazole-1-ethanol, .alpha.-(chloromethyl)-2,4-dinitro-
Database identifiers
- CAS
73334-41-5- PubChem CID
- 460743
- DTXSID
DTXSID50994066- ChEMBL
CHEMBL158301
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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