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Quizalofop-P-Ethyl
CAS: 100646-51-3 | C19H17ClN2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100646-51-3
Molecular Formula:
C19H17ClN2O4
Molecular Mass:
372.81 g/mol
Names and Synonyms:
Quizalofop-P-Ethyl
Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, ethyl ester, (2R)-
Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, ethyl ester, (R)-
Quizalofop-P-ethyl
Assure II
Targa D+
Quizalofop-P-ethyl
Ethyl (2R)-2-[4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy]propionate
Ethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate
(R)-Quizalofop ethyl
Targa Super
Astarg 125
Leopard 5EC
(+)-Quizalofop ethyl
Identifiers:
SMILES:
CCOC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChI:
InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1
Key Properties
Boiling Point
220 °C
CAS Common Chemistry
Melting Point
76.5 °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 | 372.81 g/mol | CAS Common Chemistry |
| 372.8080000000001 g/mol | RDKit | |
| 372.0876847040001 g/mol | RDKit | |
| Boiling Point | 220 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C(OC1=CC=C(OC2=NC3=CC=C(Cl)C=C3N=C2)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OSUHJPCHFDQAIT-GFCCVEGCSA-N | CAS Common Chemistry |
| Melting Point | 76.5 °C | CAS Common Chemistry |
| Name | Quizalofop-P-ethyl | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 70.54 Ų | RDKit |
| LogP | 4.4059000000000035 | RDKit |
| Molar Refractivity | 97.78700000000003 | RDKit |
