Basic information
- CAS
13048-84-5- Standard SMILES
CCC1=NNC(=O)C1(Br)Br- InChIKey
UDHIIUQXRDHTNU-UHFFFAOYSA-N- Molecular formula
- C5H6Br2N2O
- Average molar mass
- 269.92 g/mol
- Monoisotopic mass
- 267.88469
Names & identifiers
- Preferred name
- 4,4-Dibromo-5-ethyl-2,4-dihydro-3h-pyrazol-3-one
- IUPAC
- 4,4-dibromo-3-ethyl-1H-pyrazol-5-one
Names & synonyms
13048-84-54,4-dibromo-5-ethyl-2,4-dihydro-3h-pyrazol-3-oneNSC1099083H-Pyrazol-3-one,4,4-dibromo-5-ethyl-2,4-dihydro-DTXSID70296559NSC-109908DS-014231
Database identifiers
- CAS
13048-84-5- PubChem CID
- 269253
- DTXSID
DTXSID70296559
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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