Basic information
- CAS
16279-15-5- Standard SMILES
n1onc2c1c1nonc1c1nonc21- InChIKey
AVIIOEOPBJOTOH-UHFFFAOYSA-N- Molecular formula
- C6N6O3
- Average molar mass
- 204.1 g/mol
- Monoisotopic mass
- 204.00318788
Names & identifiers
- Preferred name
- Benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole
- IUPAC
- 4,9,14-trioxa-3,5,8,10,13,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2,5,7,10,12-hexaene
- English name
- Benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole
- Molecular formula
- C6N6O3
- Molecular weight
- 204.1
Names & synonyms
Benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole16279-15-5BenzotrifurazanBenzotris[1,2,5]oxadiazoleDTXSID80346054AVIIOEOPBJOTOH-UHFFFAOYSA-NBenzo[1,2-c:3,4-c/':5,6-c/'/']tris[1,2,5]oxadiazole4,9,14-trioxa-3,5,8,10,13,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2,5,7,10,12-hexaene
Database identifiers
- CAS
16279-15-5- PubChem CID
- 609182
- DTXSID
DTXSID80346054- Nikkaji
- J139.581E
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 415.4 · 415.4±55.0 °C(Predicted)
- Density
- 2.051 · 2.051±0.06 g/cm3(Predicted)
- Melting point
- 62 °C · 62 °C
- pka
- -12.91 · -12.91±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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