Basic information
- CAS
919425-89-1- Standard SMILES
O=C(Cn1nc(Br)nc1Br)Nc1cccc(C(F)(F)F)c1- InChIKey
UNVRAFCRNPKZPU-UHFFFAOYSA-N- Molecular formula
- C11H7Br2F3N4O
- Average molar mass
- 428 g/mol
Names & identifiers
- Preferred name
- 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
- IUPAC
- 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
- English name
- 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
- Molecular formula
- C11H7Br2F3N4O
- Molecular weight
- 428
Names & synonyms
2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamideSTK282976AKOS003402954AP-853/434053882-(3,5-dibromo-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide1H-1,2,4-Triazole-1-acetamide, 3,5-dibromo-N-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
919425-89-1
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Density
- 1.99 · 1.99±0.1 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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