Halonal
Basic information
- CAS
106602-54-4- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2F)C1=O- InChIKey
XRWBYGPMIPXHBK-UHFFFAOYSA-N- Molecular formula
- C19H15FN2O4
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 354.10158513
Names & identifiers
- Preferred name
- Halonal
- IUPAC
- 5-ethyl-1-(2-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- halonal
- Molecular formula
- C19H15FN2O4
- Molecular weight
- 354.3318032
Names & synonyms
Halonal106602-54-4RefChem:1450985-ethyl-1-(2-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trioneDTXSID70910046STL438417AKOS0052224402,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-(2-fluorobenzoyl)-5-phenyl-5-ethyl-1-[(2-fluorophenyl)carbonyl]-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione5-Ethyl-3-(2-fluorobenzoyl)-6-hydroxy-5-phenylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
106602-54-4- PubChem CID
- 129377
- DTXSID
DTXSID70910046- Nikkaji
- J984.205E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 617
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Related reactions
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Compound notes
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