1,3,4-Oxadiazole, 2,5-bis(4-methoxy-3-nitrophenyl)-
Basic information
- CAS
5306-39-8- Standard SMILES
COc1ccc(-c2nnc(-c3ccc(OC)c([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-]- InChIKey
ZCKUCNRDDRIABG-UHFFFAOYSA-N- Molecular formula
- C16H12N4O7
- Average molar mass
- 372.29 g/mol
- Monoisotopic mass
- 372.07059873
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 2,5-bis(4-methoxy-3-nitrophenyl)-
- IUPAC
- 2,5-bis(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazole
Names & synonyms
2,5-Bis(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazoleBRN 10519521,3,4-OXADIAZOLE, 2,5-BIS(4-METHOXY-3-NITROPHENYL)-5306-39-8DTXSID30201124RefChem:216899DTXCID30123615
Database identifiers
- CAS
5306-39-8- PubChem CID
- 21376
- DTXSID
DTXSID30201124
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
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Compound notes
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