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Molecule
Teflubenzuron
CAS: 83121-18-0 · C14H6Cl2F4N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 83121-18-0
- Molecular Formula
- C14H6Cl2F4N2O2
- Molecular Mass
- 381.11 g/mol
Identifiers
CAS Registry Number
83121-18-0
SMILES
OC(=Nc1cc(Cl)c(F)c(Cl)c1F)N=C(O)c1c(F)cccc1F
InChI Key
CJDWRQLODFKPEL-UHFFFAOYSA-N
InChI
InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)
Names and Synonyms
- Teflubenzuron Synonym
- Benzamide, N-[[(3,5-dichloro-2,4-difluorophenyl)amino]carbonyl]-2,6-difluoro- Synonym
- N-[[(3,5-Dichloro-2,4-difluorophenyl)amino]carbonyl]-2,6-difluorobenzamide Synonym
- CME 134 Synonym
- CME 134-01 Synonym
- CME 13406 Synonym
- Nomolt Synonym
- Teflubenzuron Synonym
- HOE 522 Synonym
- Tefluron Synonym
- MK 139 Synonym
- OMS 3009 Synonym
- AC 291898 Synonym
- Calicide Synonym
- Nomolt agro Synonym
- Ektobann Synonym
- Telubenzuron Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 381.11 g/mol | CAS Common Chemistry |
| 381.112 g/mol | RDKit | |
| 381.106 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC(=O)C=1C(F)=CC=CC1F)NC2=CC(Cl)=C(F)C(Cl)=C2F | CAS Common Chemistry |
| InChI | InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=CJDWRQLODFKPEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 222.5 °C | CAS Common Chemistry |
| Name | Teflubenzuron | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 5.100100000000001 | RDKit |
| 5.1001 | RDKit | |
| Molar Refractivity | 81.62560000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 379.974245672 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.
External Resources
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MW = 381.11 g/mol. Edit any field — others recompute live.
