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Fenoxaprop P-Ethyl
CAS: 71283-80-2 | C18H16ClNO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71283-80-2
Molecular Formula:
C18H16ClNO5
Molecular Mass:
361.78 g/mol
Names and Synonyms:
Fenoxaprop P-Ethyl
Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-
Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-
Fenoxaprop-P ethyl ester
HOE 046360
Fenoxaprop P-ethyl
Furore Super
(R)-Ethyl fenoxaprop
Isomero
Cheetah
Whip Super
Ricestar
Whip S
Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate
Super Whip
Option Super
Exel Super
Aclaim
Acclaim Extra
Proper Energy
Ralon super
Whip 360
XL 71AG
Primera Super
(+)-(R)-Fenoxaprop-ethyl
Pujing
AEF 046360
AEF 04-6360
Imaspro
Puma
Puma (herbicide)
Identifiers:
SMILES:
CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1
InChI:
InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1
Key Properties
Boiling Point
>300 °C
CAS Common Chemistry
Melting Point
90 °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 | 361.78 g/mol | CAS Common Chemistry |
| 361.7810000000001 g/mol | RDKit | |
| 361.071700292 g/mol | RDKit | |
| Boiling Point | >300 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C(OC1=CC=C(OC2=NC=3C=CC(Cl)=CC3O2)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PQKBPHSEKWERTG-LLVKDONJSA-N | CAS Common Chemistry |
| Melting Point | 90 °C | CAS Common Chemistry |
| Name | Fenoxaprop P-ethyl | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 70.79 Ų | RDKit |
| LogP | 4.603900000000004 | RDKit |
| Molar Refractivity | 92.25800000000002 | RDKit |
