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Molecule
Flumethrin
CAS: 69770-45-2 · C28H22Cl2FNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 69770-45-2
- Molecular Formula
- C28H22Cl2FNO3
- Molecular Mass
- 510.39 g/mol
Identifiers
CAS Registry Number
69770-45-2
SMILES
CC1(C)C(C=C(Cl)c2ccc(Cl)cc2)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1
InChI Key
YXWCBRDRVXHABN-UHFFFAOYSA-N
InChI
InChI=1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3
Names and Synonyms
- Flumethrin Common Name
- Cyclopropanecarboxylic acid, 3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester Synonym
- Flumethrin Synonym
- Bayticol Synonym
- FCR 2769 Synonym
- Bayticol Pour-on Synonym
- Bayvarol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 510.39 g/mol | CAS Common Chemistry |
| 510.3920000000002 g/mol | RDKit | |
| 510.392 g/mol | RDKit | |
| 510.386 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Flumethrin | CAS Common Chemistry |
| Canonical SMILES | N#CC(OC(=O)C1C(C=C(Cl)C2=CC=C(Cl)C=C2)C1(C)C)C3=CC=C(F)C(OC=4C=CC=CC4)=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YXWCBRDRVXHABN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Flumethrin | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 59.32000000000001 Ų | RDKit |
| 59.32 Ų | RDKit | |
| LogP | 7.931380000000007 | RDKit |
| 7.9314 | RDKit | |
| Molar Refractivity | 133.40499999999992 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2143 | RDKit |
| 0.21 | chempirical lib | |
| Exact Mass | 509.096077144 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 510.39 g/mol. Edit any field — others recompute live.
