Back to Search
Furagin
CAS: 1672-88-4 | C10H8N4O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1672-88-4
Molecular Formula:
C10H8N4O5
Molecular Mass:
264.20 g/mol
Names and Synonyms:
Furagin
2,4-Imidazolidinedione, 1-[[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]amino]-
Hydantoin, 1-[[3-(5-nitro-2-furyl)allylidene]amino]-
2,4-Imidazolidinedione, 1-[[3-(5-nitro-2-furanyl)-2-propenylidene]amino]-
1-[[3-(5-Nitro-2-furanyl)-2-propen-1-ylidene]amino]-2,4-imidazolidinedione
Furagin
NF 416
N-[β-(5-Nitro-2-furyl)allylidene]-1-aminohydantoin
1-[3-(5-Nitro-2-furyl)allylideneamino]hydantoin
Furazidine
Furazidin
1-[3-(5-Nitro-2-furyl)allylidenamino]hydantoin
F 35
Akritoin
Furamags
Identifiers:
SMILES:
O=C1N=C(O)CN1N=CC=Cc1ccc([N+](=O)[O-])o1
InChI:
InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)
Key Properties
Melting Point
263 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.20 g/mol | CAS Common Chemistry |
| 264.197 g/mol | RDKit | |
| 264.04946935600003 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)CN1N=CC=CC=2OC(=CC2)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=DECBQELQORZLLP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 263 °C (decomp) | CAS Common Chemistry |
| Name | Furagin | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 121.54 Ų | RDKit |
| LogP | 1.5789 | RDKit |
| Molar Refractivity | 65.05420000000001 | RDKit |
