Basic information
- CAS
862854-56-6- Standard SMILES
COc1cnn(CCO)c(=O)c1Br- InChIKey
QZIYTKGQXAWWCE-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2O3
- Average molar mass
- 249.06 g/mol
- Monoisotopic mass
- 247.97965
Names & identifiers
- Preferred name
- 4-Bromo-2-(2-hydroxyethyl)-5-methoxypyridazin-3(2H)-one
- IUPAC
- 4-bromo-2-(2-hydroxyethyl)-5-methoxypyridazin-3-one
Names & synonyms
862854-56-64-Bromo-2-(2-hydroxyethyl)-5-methoxypyridazin-3(2H)-oneSCHEMBL8283496DTXSID90469506
Database identifiers
- CAS
862854-56-6- PubChem CID
- 11615745
- DTXSID
DTXSID90469506
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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