Basic information
- CAS
38322-61-1- Standard SMILES
O=c1cc(-c2nn[nH]n2)oc2ccc([N+](=O)[O-])cc12- InChIKey
IEZXNXOBTJVBJV-UHFFFAOYSA-N- Molecular formula
- C10H5N5O4
- Average molar mass
- 259.18 g/mol
- Monoisotopic mass
- 259.03415366
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-nitro-2-(1H-tetrazol-5-yl)-
- IUPAC
- 6-nitro-2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
38322-61-1BRN 08279054H-1-Benzopyran-4-one, 6-nitro-2-(1H-tetrazol-5-yl)-6-Nitro-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID40191683RefChem:297355DTXCID80114174SCHEMBL69531596-Nitro-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
38322-61-1- PubChem CID
- 217217
- DTXSID
DTXSID40191683
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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