2H-Tetrazole, 5-phenyl-, calcium salt (2:1)
Basic information
- CAS
55719-89-6- Standard SMILES
[Ca+2].c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1- InChIKey
LIQUIQYZHDBODX-UHFFFAOYSA-N- Molecular formula
- C14H10CaN8
- Average molar mass
- 330.36 g/mol
- Monoisotopic mass
- 330.0654332
Names & identifiers
- Preferred name
- 2H-Tetrazole, 5-phenyl-, calcium salt (2:1)
- IUPAC
- calcium bis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene)
Names & synonyms
5-Phenyltetrazole, calcium salt55719-89-6EINECS 259-776-62H-Tetrazole, 5-phenyl-, calcium salt (2:1)RefChem:4844371H-Tetrazole, 5-phenyl-, calcium salt5-Phenyl-1H-tetrazole, calcium saltDTXSID0069044Calcium bis(5-phenyltetrazol-2-ide)NS00087570
Database identifiers
- CAS
55719-89-6- PubChem CID
- 108759
- DTXSID
DTXSID0069044- EC Number
- 259-776-6
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 116
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Tetrazole, 5-phenyl-, calcium salt (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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