2-Phenyl-2H-tetrazole
Basic information
- CAS
56476-95-0- Standard SMILES
c1ccc(-n2ncnn2)cc1- InChIKey
QLDFMNWSPWEFIM-UHFFFAOYSA-N- Molecular formula
- C7H6N4
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.05924621
Names & identifiers
- Preferred name
- 2-Phenyl-2H-tetrazole
- IUPAC
- 2-phenyltetrazole
Names & synonyms
2-phenyl-2h-tetrazoleDTXSID3030121456476-95-0RefChem:265236DTXCID802523482-phenyltetrazoleNSC1418492H-Tetrazole, 2-phenyl-SCHEMBL272488SCHEMBL272489SCHEMBL2211763SCHEMBL3897168
Show more names
SCHEMBL15577760STL503757AKOS037487907NSC-141849DS-013370
Database identifiers
- CAS
56476-95-0- PubChem CID
- 285116
- DTXSID
DTXSID30301214- Nikkaji
- J645.386D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…