Basic information
- CAS
634178-26-0- Standard SMILES
Fc1ccc(Oc2nnnn2-c2ccccc2)cc1- InChIKey
HTULNQMBGZQBFU-UHFFFAOYSA-N- Molecular formula
- C13H9FN4O
- Average molar mass
- 256.23 g/mol
- Monoisotopic mass
- 256.07603909
Names & identifiers
- Preferred name
- 5-(4-Fluorophenoxy)-1-phenyltetrazole
- IUPAC
- 5-(4-fluorophenoxy)-1-phenyltetrazole
Names & synonyms
5-(4-fluorophenoxy)-1-phenyltetrazole5-(4-fluorophenoxy)-1-phenyl-1H-tetrazole634178-26-0MLS000675599CHEMBL1517144DTXSID101327074HMS2684B23STK793273AKOS025245685SMR000294134SR-01000276452SR-01000276452-1
Database identifiers
- CAS
634178-26-0- PubChem CID
- 713745
- DTXSID
DTXSID101327074- ChEMBL
CHEMBL1517144
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 280
Experimental & physicochemical properties
Solubility20.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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