Basic information
- CAS
33544-21-7- Standard SMILES
O=c1cc(-c2nn[nH]n2)oc2ccc(Br)cc12- InChIKey
FHPXSLWCBTUXQN-UHFFFAOYSA-N- Molecular formula
- C10H5BrN4O2
- Average molar mass
- 293.08 g/mol
- Monoisotopic mass
- 291.95959
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-bromo-2-(1H-tetrazol-5-yl)-
- IUPAC
- 6-bromo-2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
33544-21-7BRN 08095134H-1-Benzopyran-4-one, 6-bromo-2-(1H-tetrazol-5-yl)-6-Bromo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID00187229RefChem:297327DTXCID601097206-Bromo-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
33544-21-7- PubChem CID
- 214645
- DTXSID
DTXSID00187229
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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