Basic information
- CAS
65992-09-8- Standard SMILES
COc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2nnc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])c(OC)c3[N+](=O)[O-])o2)c1[N+](=O)[O-]- InChIKey
GQBGYCZGUMIQKN-UHFFFAOYSA-N- Molecular formula
- C16H8N8O15
- Average molar mass
- 552.28 g/mol
- Monoisotopic mass
- 552.01091158
Names & identifiers
- Preferred name
- 2,5-Bis(3-methoxy-2,4,6-trinitrophenyl)-1,3,4-oxadiazole
- IUPAC
- 2,5-bis(3-methoxy-2,4,6-trinitrophenyl)-1,3,4-oxadiazole
Names & synonyms
2,5-bis(3-methoxy-2,4,6-trinitrophenyl)-1,3,4-oxadiazole65992-09-8SCHEMBL9638420DTXSID50495200GQBGYCZGUMIQKN-UHFFFAOYSA-N
Database identifiers
- CAS
65992-09-8- PubChem CID
- 12377582
- DTXSID
DTXSID50495200
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 332 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 920
Related reactions
1 records
Compound notes
Loading…