Basic information
- CAS
33543-91-8- Standard SMILES
O=c1cc(-c2nn[nH]n2)oc2ccccc12- InChIKey
ZZLXVXGOFGHKHP-UHFFFAOYSA-N- Molecular formula
- C10H6N4O2
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.04907545
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2-(1H-tetrazol-5-yl)-
- IUPAC
- 2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
33543-91-8BRN 05308154H-1-Benzopyran-4-one, 2-(1H-tetrazol-5-yl)-2-(1H-Tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID00187204RefChem:297234DTXCID701096952-(1H-tetraazol-5-yl)-4H-chromen-4-oneOprea1_349449SCHEMBL5969858CHEMBL32785362-(1H-tetrazol-5-yl)chromen-4-one
Show more names
2-(2H-Tetrazol-5-yl)-4H-1-benzopyran-4-oneAK-820/13220104
Database identifiers
- CAS
33543-91-8- PubChem CID
- 214616
- DTXSID
DTXSID00187204- ChEMBL
CHEMBL3278536
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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