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Molecule
Oxadiazon
CAS: 19666-30-9 · C15H18Cl2N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19666-30-9
- Molecular Formula
- C15H18Cl2N2O3
- Molecular Mass
- 345.23 g/mol
Identifiers
CAS Registry Number
19666-30-9
SMILES
CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl
InChI Key
CHNUNORXWHYHNE-UHFFFAOYSA-N
InChI
InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
Names and Synonyms
- Oxadiazon Common Name
- 1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)- Synonym
- Δ2-1,3,4-Oxadiazolin-5-one, 2-tert-butyl-4-(2,4-dichloro-5-isopropoxyphenyl)- Synonym
- 3-[2,4-Dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one Synonym
- RP 17623 Synonym
- 2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline Synonym
- 2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline Synonym
- Oxadiazone Synonym
- 2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one Synonym
- Oxadiazon Synonym
- Ronstar Synonym
- G 315 Synonym
- Kensogen Ti Synonym
- Foresite Synonym
- Ronstar 380 SC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 345.23 g/mol | CAS Common Chemistry |
| 345.226 g/mol | RDKit | |
| 345.22 g/mol | chempirical lib | |
| Canonical SMILES | O=C1OC(=NN1C2=CC(OC(C)C)=C(Cl)C=C2Cl)C(C)(C)C | CAS Common Chemistry |
| Density | 1 x 10-6 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CHNUNORXWHYHNE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90 °C | CAS Common Chemistry |
| Name | Oxadiazon | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.26 Ų | RDKit |
| 59.89 Ų | chempirical lib | |
| LogP | 4.217000000000004 | RDKit |
| 4.217 | RDKit | |
| Molar Refractivity | 86.58400000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4667 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 344.06944779599996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 345.23 g/mol. Edit any field — others recompute live.
