Basic information
- CAS
25423-74-9- Standard SMILES
O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)ccc1Cl- InChIKey
XDJOUQBOFCTFFW-UHFFFAOYSA-N- Molecular formula
- C14H6Cl2N4O5
- Average molar mass
- 381.1 g/mol
- Monoisotopic mass
- 379.9715247
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 2,5-bis(4-chloro-3-nitrophenyl)-
- IUPAC
- 2,5-bis(4-chloro-3-nitrophenyl)-1,3,4-oxadiazole
Names & synonyms
2,5-Bis(4-chloro-3-nitrophenyl)-1,3,4-oxadiazole25423-74-9NSC 176077BRN 10459511,3,4-OXADIAZOLE, 2,5-BIS(4-CHLORO-3-NITROPHENYL)-DTXSID101800842,5-bis{4-chloro-3-nitrophenyl}-1,3,4-oxadiazoleRefChem:216898DTXCID20102575NSC176077CBMicro_020029CCG-8024
Show more names
STK755608AKOS005615860NSC-176077BIM-0020024.P001DS-002766ST4030022AG-205/09950026AG-205/12761458
Database identifiers
- CAS
25423-74-9- PubChem CID
- 32971
- DTXSID
DTXSID10180084
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…