Basic information
- CAS
33550-08-2- Standard SMILES
O=c1cc(-c2nn[nH]n2)oc2c(Br)cc(Br)cc12- InChIKey
YXMJERSBVSUMCI-UHFFFAOYSA-N- Molecular formula
- C10H4Br2N4O2
- Average molar mass
- 371.97 g/mol
- Monoisotopic mass
- 369.8701
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6,8-dibromo-2-(1H-tetrazol-5-yl)-
- IUPAC
- 6,8-dibromo-2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
33550-08-2BRN 08228934H-1-Benzopyran-4-one, 6,8-dibromo-2-(1H-tetrazol-5-yl)-6,8-Dibromo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID60187240RefChem:297321DTXCID701097316,8-Dibromo-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
33550-08-2- PubChem CID
- 214652
- DTXSID
DTXSID60187240
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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