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Molecule
Fenoxycarb
CAS: 79127-80-3 · C17H19NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79127-80-3
- Molecular Formula
- C17H19NO4
- Molecular Mass
- 301.34 g/mol
Identifiers
CAS Registry Number
79127-80-3
SMILES
CCOC(O)=NCCOc1ccc(Oc2ccccc2)cc1
InChI Key
HJUFTIJOISQSKQ-UHFFFAOYSA-N
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)
Names and Synonyms
- Fenoxycarb Common Name
- Carbamic acid, N-[2-(4-phenoxyphenoxy)ethyl]-, ethyl ester Synonym
- Carbamic acid, [2-(4-phenoxyphenoxy)ethyl]-, ethyl ester Synonym
- Ro 13-5223 Synonym
- Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate Synonym
- Fenoxycarb Synonym
- Insegar Synonym
- ABG 6215 Synonym
- Logic Synonym
- Eclipse Synonym
- Eclipse (growth regulator) Synonym
- Phenoxycarb Synonym
- Logic (growth regulator) Synonym
- Et 2-(p-phenoxyphenoxy)ethylcarbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 301.34 g/mol | CAS Common Chemistry |
| 301.34200000000004 g/mol | RDKit | |
| 301.342 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 |
| 3.8082 | RDKit | |
| Molar Refractivity | 85.00980000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2353 | RDKit |
| 0.24 | chempirical lib | |
| Exact Mass | 301.131408088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 301.34 g/mol. Edit any field — others recompute live.
