Basic information
- Standard SMILES
Cn1c(=O)[nH]c(=O)n(-c2ccc(F)cc2Cl)c1=O- InChIKey
VUZIEBFPRZOAGU-UHFFFAOYSA-N- Molecular formula
- C10H7ClFN3O3
- Average molar mass
- 271.63 g/mol
- Monoisotopic mass
- 271.0159969
Names & identifiers
- Preferred name
- 1-(2-chloro-4-fluorophenyl)-3-methyl-s-triazine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 1-(2-chloro-4-fluorophenyl)-3-methyl-1,3,5-triazinane-2,4,6-trione
Names & synonyms
SCHEMBL8476910VUZIEBFPRZOAGU-UHFFFAOYSA-N1-(2-chloro-4-fluorophenyl)-3-methyl-s-triazine-2,4,6(1H,3H,5H)-trione
Database identifiers
- PubChem CID
- 57268660
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 406
Related reactions
13 records
Linked notes
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