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Fenoxycarb
CAS: 79127-80-3 | C17H19NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79127-80-3
Molecular Formula:
C17H19NO4
Molecular Mass:
301.34 g/mol
Names and Synonyms:
Fenoxycarb
Carbamic acid, N-[2-(4-phenoxyphenoxy)ethyl]-, ethyl ester
Carbamic acid, [2-(4-phenoxyphenoxy)ethyl]-, ethyl ester
Ro 13-5223
Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate
Fenoxycarb
Insegar
ABG 6215
Logic
Eclipse
Eclipse (growth regulator)
Phenoxycarb
Logic (growth regulator)
Et 2-(p-phenoxyphenoxy)ethylcarbamate
Identifiers:
SMILES:
CCOC(O)=NCCOc1ccc(Oc2ccccc2)cc1
InChI:
InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
Key Properties
Melting Point
53-54 °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 | 301.34 g/mol | CAS Common Chemistry |
| 301.34200000000004 g/mol | RDKit | |
| 301.131408088 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)NCCOC1=CC=C(OC=2C=CC=CC2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) | CAS Common Chemistry |
| InChI Key | InChIKey=HJUFTIJOISQSKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 53-54 °C | CAS Common Chemistry |
| Name | Fenoxycarb | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 60.28 Ų | RDKit |
| LogP | 3.808200000000002 | RDKit |
| Molar Refractivity | 85.00980000000006 | RDKit |
