Basic information
- CAS
340213-04-9- Standard SMILES
CN1C(=O)C(=Cc2ccc(Br)o2)C(=O)N(C)C1=O- InChIKey
HUTNGDDNJHGJLR-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2O4
- Average molar mass
- 313.1 g/mol
- Monoisotopic mass
- 311.97457
Names & identifiers
- Preferred name
- 5-((5-Bromo-2-furyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-[(5-bromofuran-2-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- English name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(5-bromo-2-furanyl)methylene]-1,3-dimethyl-
- Molecular formula
- C11H9BrN2O4
- Molecular weight
- 313.1
Names & synonyms
AKOS0032285975-[(5-bromofuran-2-yl)methylene]-1,3-dimethylpyrimidine-2,4,6-trione5-((5-BROMO-2-FURYL)METHYLENE)-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(5-bromo-2-furanyl)methylene]-1,3-dimethyl-
Database identifiers
- CAS
340213-04-9- PubChem CID
- 4090763
- EC Number
- 131-402-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 387.7 · 387.7±52.0 °C(Predicted)
- Density
- 1.694 · 1.694±0.06 g/cm3(Predicted)
- pka
- -2.33 · -2.33±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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