8,9-Difluoro-3-methyl-2,3-dihydro-1-oxa-3a,5-diaza-phenalene4,6-dione
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC1COc2c(F)c(F)cc3c(=O)[nH]c(=O)n1c23- InChIKey
CGEUYSMLTTYJHA-UHFFFAOYSA-N- Molecular formula
- C11H8F2N2O3
- Average molar mass
- 254.19 g/mol
- Monoisotopic mass
- 254.05029845
Names & identifiers
- Preferred name
- 8,9-Difluoro-3-methyl-2,3-dihydro-1-oxa-3a,5-diaza-phenalene4,6-dione
- IUPAC
- 7,8-difluoro-12-methyl-10-oxa-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione
Names & synonyms
SCHEMBL4505114CGEUYSMLTTYJHA-UHFFFAOYSA-N8,9-Difluoro-3-methyl-2,3-dihydro-1-oxa-3a,5-diaza-phenalene-4,6-dione8,9-Difluoro-3-methyl-2,3-dihydro-1-oxa-3a,5-diaza-phenalene4,6-dione8,9-Difluoro-3-methyl-2,3-dihydro-1-oxa-3a,5-diazaphenalene-4,6-dione
Database identifiers
- PubChem CID
- 21979110
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 406
Related reactions
2 records
Compound notes
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