Basic information
- CAS
88723-64-2- Standard SMILES
CCN(CC)c1ncc(C(=O)CBr)[nH]1- InChIKey
MMVFKAXNXOGORP-UHFFFAOYSA-N- Molecular formula
- C9H14BrN3O
- Average molar mass
- 260.13 g/mol
- Monoisotopic mass
- 259.03202
Names & identifiers
- Preferred name
- 2-Bromo-1-(2-(diethylamino)-1H-imidazol-4-yl)ethanone
- IUPAC
- 2-bromo-1-[2-(diethylamino)-1H-imidazol-5-yl]ethanone
Names & synonyms
88723-64-22-Bromo-1-(2-(diethylamino)-1H-imidazol-4-yl)ethanoneDTXSID607498222-Bromo-1-[2-(diethylamino)-1H-imidazol-5-yl]ethan-1-one
Database identifiers
- CAS
88723-64-2- PubChem CID
- 71319829
- DTXSID
DTXSID60749822
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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