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Basic information
- Standard SMILES
O=c1[nH]nc(Br)c(=O)n1Cc1ccc2c(c1)OC(F)(F)O2- InChIKey
ZLINBJSOYPQGGU-UHFFFAOYSA-N- Molecular formula
- C11H6BrF2N3O4
- Average molar mass
- 362.08 g/mol
- Monoisotopic mass
- 360.95097
Names & identifiers
- Preferred name
- 6-bromo-4-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-1,2,4-triazine-3,5(2H,4H)-dione
- IUPAC
- 6-bromo-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2H-1,2,4-triazine-3,5-dione
Names & synonyms
6-bromo-4-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-1,2,4-triazine-3,5(2H,4H)-dioneSCHEMBL3574450
Database identifiers
- PubChem CID
- 68698286
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 516
Related reactions
5 records
Compound notes
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