Basic information
- CAS
639048-27-4- Standard SMILES
CCCn1nnnc1NC(=O)c1ccccc1F- InChIKey
QHIXXDSIGVGCED-UHFFFAOYSA-N- Molecular formula
- C11H12FN5O
- Average molar mass
- 249.24 g/mol
- Monoisotopic mass
- 249.10258819
Names & identifiers
- Preferred name
- 2-fluoro-N-(1-propyltetrazol-5-yl)benzamide
- IUPAC
- 2-fluoro-N-(1-propyltetrazol-5-yl)benzamide
- English name
- Benzamide, 2-fluoro-N-(1-propyl-1H-tetrazol-5-yl)- (9CI)
- Molecular formula
- C11H12FN5O
- Molecular weight
- 249.24
Names & synonyms
2-fluoro-N-(1-propyltetrazol-5-yl)benzamide639048-27-42-Fluoro-N-(1-propyl-1H-tetrazol-5-yl)benzamideDTXSID00359343BENZAMIDE, 2-FLUORO-N-(1-PROPYL-1H-TETRAZOL-5-YL)-AKOS003199246DB-273640ST51028632(2-fluorophenyl)-N-(1-propyl(1,2,3,4-tetraazol-5-yl))carboxamideBenzamide, 2-fluoro-N-(1-propyl-1H-tetrazol-5-yl)- (9CI)
Database identifiers
- CAS
639048-27-4- PubChem CID
- 960205
- DTXSID
DTXSID00359343
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 9.85 · 9.85±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…