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Molecule
Fenoxaprop P-Ethyl
CAS: 71283-80-2 · C18H16ClNO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 71283-80-2
- Molecular Formula
- C18H16ClNO5
- Molecular Mass
- 361.78 g/mol
Identifiers
CAS Registry Number
71283-80-2
SMILES
CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1
InChI Key
PQKBPHSEKWERTG-LLVKDONJSA-N
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
Names and Synonyms
- Fenoxaprop P-Ethyl Synonym
- Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)- Synonym
- Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)- Synonym
- Fenoxaprop-P ethyl ester Synonym
- HOE 046360 Synonym
- Fenoxaprop P-ethyl Synonym
- Furore Super Synonym
- (R)-Ethyl fenoxaprop Synonym
- Isomero Synonym
- Cheetah Synonym
- Whip Super Synonym
- Ricestar Synonym
- Whip S Synonym
- Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate Synonym
- Super Whip Synonym
- Option Super Synonym
- Exel Super Synonym
- Aclaim Synonym
- Acclaim Extra Synonym
- Proper Energy Synonym
- Ralon super Synonym
- Whip 360 Synonym
- XL 71AG Synonym
- Primera Super Synonym
- (+)-(R)-Fenoxaprop-ethyl Synonym
- Pujing Synonym
- AEF 046360 Synonym
- AEF 04-6360 Synonym
- Imaspro Synonym
- Puma Synonym
- Puma (herbicide) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 361.78 g/mol | CAS Common Chemistry |
| 361.7810000000001 g/mol | RDKit | |
| 361.781 g/mol | RDKit | |
| 361.778 g/mol | chempirical lib | |
| 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 |
| 66.35 Ų | chempirical lib | |
| LogP | 4.603900000000004 | RDKit |
| 4.6039 | RDKit | |
| Molar Refractivity | 92.25800000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 361.071700292 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 361.78 g/mol. Edit any field — others recompute live.
