5-Bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
Basic information
- CAS
22724-20-5- Standard SMILES
O=Cc1[nH]c(=O)[nH]c(=O)c1Br- InChIKey
XKLRLKRKDKRUEU-UHFFFAOYSA-N- Molecular formula
- C5H3BrN2O3
- Average molar mass
- 218.99 g/mol
- Monoisotopic mass
- 217.9327
Names & identifiers
- Preferred name
- 5-Bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
- IUPAC
- 5-bromo-2,4-dioxo-1H-pyrimidine-6-carbaldehyde
Names & synonyms
22724-20-55-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehydeNSC153726DTXSID10302805NSC-153726
Database identifiers
- CAS
22724-20-5- PubChem CID
- 290408
- DTXSID
DTXSID10302805
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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