Back to Search
2,3-Dichloro-6-Methoxyquinoxaline
CAS: 39267-04-4 | C9H6Cl2N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39267-04-4
Molecular Formula:
C9H6Cl2N2O
Molecular Mass:
229.07 g/mol
Names and Synonyms:
2,3-Dichloro-6-Methoxyquinoxaline
Quinoxaline, 2,3-dichloro-6-methoxy-
2,3-Dichloro-6-methoxyquinoxaline
6-Methoxy-2,3-dichloroquinoxaline
Identifiers:
SMILES:
COc1ccc2nc(Cl)c(Cl)nc2c1
InChI:
InChI=1S/C9H6Cl2N2O/c1-14-5-2-3-6-7(4-5)13-9(11)8(10)12-6/h2-4H,1H3
Key Properties
Melting Point
160 °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 | 229.07 g/mol | CAS Common Chemistry |
| 229.066 g/mol | RDKit | |
| 227.985718172 g/mol | RDKit | |
| Canonical SMILES | ClC=1N=C2C=CC(OC)=CC2=NC1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C9H6Cl2N2O/c1-14-5-2-3-6-7(4-5)13-9(11)8(10)12-6/h2-4H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NFJQDGNCJJPQNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160 °C | CAS Common Chemistry |
| Name | 2,3-Dichloro-6-methoxyquinoxaline | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.010000000000005 Ų | RDKit |
| LogP | 2.9452000000000007 | RDKit |
| Molar Refractivity | 56.11000000000002 | RDKit |
