3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
Basic information
- CAS
37932-53-9- Standard SMILES
O=[N+]([O-])c1cccc(C2=NNC(c3cccc([N+](=O)[O-])c3)=NN2)c1- InChIKey
URHRTDRYHBHFJQ-UHFFFAOYSA-N- Molecular formula
- C14H10N6O4
- Average molar mass
- 326.27 g/mol
- Monoisotopic mass
- 326.07635282
Names & identifiers
- Preferred name
- 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
- IUPAC
- 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
Names & synonyms
37932-53-9NSC137995DTXSID10958942NSC-1379953,6-Bis(3-nitrophenyl)-1,2-dihydro-1,2,4,5-tetrazine5153-21-9
Database identifiers
- CAS
37932-53-9- PubChem CID
- 5222453
- DTXSID
DTXSID10958942
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 517
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Compound notes
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