Basic information
- CAS
125369-76-8- Standard SMILES
Cc1ccc(C(C#N)=CC=Cc2ccccc2[N+](=O)[O-])cc1- InChIKey
UPYKHGUZZKOQBB-UHFFFAOYSA-N- Molecular formula
- C18H14N2O2
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.10552769
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
- IUPAC
- 2-(4-methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
- English name
- 5-(2-Nitrophenyl)-2-(4-methylphenyl)-2,4-pentadienenitrile
- Molecular formula
- C18H14N2O2
- Molecular weight
- 290.32
Names & synonyms
DTXSID8010305472-(4-METHYLPHENYL)-5-(2-NITROPHENYL)-2,4-PENTADIENENITRILE5-(2-Nitrophenyl)-2-(4-methylphenyl)-2,4-pentadienenitrile
Database identifiers
- CAS
125369-76-8- PubChem CID
- 154240
- DTXSID
DTXSID801030547
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Boiling point
- 513.077 · 513.077±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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