Basic information
- CAS
25407-11-8- Standard SMILES
O=[N+]([O-])c1ccccc1C#Cc1ccccc1[N+](=O)[O-]- InChIKey
NGAAWVNDUVZWCT-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.04840674
Names & identifiers
- Preferred name
- Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-
- IUPAC
- 1-nitro-2-[2-(2-nitrophenyl)ethynyl]benzene
Names & synonyms
Dinitro-2,2' tolaneAcetylene, bis(o-nitrophenyl)-Dinitro-2,2' tolane [French]Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-BRN 19988941,1'-(1,2-Ethynediyl)bis(2-nitrobenzene)DTXSID901800673-05-00-02121 (Beilstein Handbook Reference)1,1'-(1,2-Ethynediyl)bis[2-nitrobenzene]RefChem:323210DTXCID0010255825407-11-8
Show more names
SCHEMBL12286918AKOS0002783491,1'-(Ethyne-1,2-diyl)bis(2-nitrobenzene)
Database identifiers
- CAS
25407-11-8- PubChem CID
- 212931
- DTXSID
DTXSID90180067- Nikkaji
- J1.186.697B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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