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4-(2-Fluoro-4-Nitrophenyl)Morpholine
CAS: 2689-39-6 | C10H11FN2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2689-39-6
Molecular Formula:
C10H11FN2O3
Molecular Mass:
226.21 g/mol
Names and Synonyms:
4-(2-Fluoro-4-Nitrophenyl)Morpholine
Morpholine, 4-(2-fluoro-4-nitrophenyl)-
4-(2-Fluoro-4-nitrophenyl)morpholine
N-(2-Fluoro-4-nitrophenyl)morpholine
3-Fluoro-4-morpholine-4-yl-nitrobenzene
3-Fluoro-4-morpholinonitrobenzene
3-Fluoro-4-morpholin-4-yl-1-nitrobenzene
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1
InChI:
InChI=1S/C10H11FN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2
Key Properties
Melting Point
112-113 °C
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 | 226.21 g/mol | CAS Common Chemistry |
| 226.20699999999994 g/mol | RDKit | |
| 226.075370432 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(C(F)=C1)N2CCOCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11FN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZEQCFSSBZPZEFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 112-113 °C | CAS Common Chemistry |
| Name | 4-(2-Fluoro-4-nitrophenyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.61 Ų | RDKit |
| LogP | 1.5705 | RDKit |
| Molar Refractivity | 56.08640000000002 | RDKit |
