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Molecule
Drazoxolon
CAS: 5707-69-7 · C10H8ClN3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5707-69-7
- Molecular Formula
- C10H8ClN3O2
- Molecular Mass
- 237.65 g/mol
Identifiers
CAS Registry Number
5707-69-7
SMILES
CC1=NOC(=O)C1=NNc1ccccc1Cl
InChI Key
OOTHTARUZHONSW-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,12H,1H3
Names and Synonyms
- Drazoxolon Synonym
- 4,5-Isoxazoledione, 3-methyl-, 4-[2-(2-chlorophenyl)hydrazone] Synonym
- 4,5-Isoxazoledione, 3-methyl-, 4-[(o-chlorophenyl)hydrazone] Synonym
- 4,5-Isoxazoledione, 3-methyl-, 4-[(2-chlorophenyl)hydrazone] Synonym
- PP 781 Synonym
- 4-(2-Chlorophenylhydrazono)-3-methyl-5-isoxazolone Synonym
- 4-o-Chlorophenylhydrazono-3-methyl-5-isoxazolone Synonym
- Drazoxolon Synonym
- JF 1633 Synonym
- JF 2067 Synonym
- 3-Methyl-4-[(o-chlorophenyl)hydrazone]-4,5-isoxazoledione Synonym
- 4-(2-Chlorophenylhydrazono)-3-methyl-5(4H)-isoxazolone Synonym
- 3-Methyl-4-(o-chlorophenylhydrazono)-5-isoxazolone Synonym
- R 22395 Synonym
- Milcol Synonym
- Mil-Col (pesticide) Synonym
- Hydrazolon Synonym
- JF 800 Synonym
- 3-Methyl-4-(2-chlorophenylhydrazono)-2-isoxazolin-5-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.65 g/mol | CAS Common Chemistry |
| 237.64600000000002 g/mol | RDKit | |
| 237.646 g/mol | RDKit | |
| 237.643 g/mol | chempirical lib | |
| Canonical SMILES | O=C1ON=C(C1=NNC=2C=CC=CC2Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OOTHTARUZHONSW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | Drazoxolon | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.05 Ų | RDKit |
| LogP | 2.0405999999999995 | RDKit |
| 2.0406 | RDKit | |
| Molar Refractivity | 61.71070000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 237.030504176 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 237.65 g/mol. Edit any field — others recompute live.
