Basic information
- CAS
56656-35-0- Standard SMILES
CC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1- InChIKey
VPXARFYVGYUYMI-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 1-(5-(3-Nitrophenyl)furan-2-yl)ethanone
- IUPAC
- 1-[5-(3-nitrophenyl)furan-2-yl]ethanone
- English name
- Ethanone, 1-[5-(3-nitrophenyl)-2-furanyl]-
- Molecular formula
- C12H9NO4
- Molecular weight
- 231.2
Names & synonyms
56656-35-01-(5-(3-nitrophenyl)furan-2-yl)ethanone1-[5-(3-nitrophenyl)furan-2-yl]ethanoneEthanone, 1-[5-(3-nitrophenyl)-2-furanyl]-SCHEMBL16085444DTXSID304034442-acetyl-5-(3-nitrophenyl)furanAKOS0117874881-[5-(3-Nitrophenyl)furan-2-yl]ethan-1-one1-(5-(3-NITROPHENYL)-2-FURYL)ETHANONE
Database identifiers
- CAS
56656-35-0- PubChem CID
- 4453463
- DTXSID
DTXSID30403444- EC Number
- 146-145-4
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 116 · 116-117 °C(Solv: ethanol (64-17-5))
- Boiling point
- 210 °C · 210 °C(Press: 2 Torr)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
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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