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Fluazifop-P-Butyl
CAS: 79241-46-6 | C19H20F3NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79241-46-6
Molecular Formula:
C19H20F3NO4
Molecular Mass:
383.37 g/mol
Names and Synonyms:
Fluazifop-P-Butyl
Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-
Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-
PP 005
Fusilade Super
Fluazifop-P-butyl
Fusilade 2000
(+)-Fluazifop-butyl
Fusilade S
Fusilade II
Fusilade DX
Fusilade forte
IH 773B
ICI-A 0009
ICI-A 0005
Fusilade Max
Identifiers:
SMILES:
CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChI:
InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
Key Properties
Boiling Point
154 °C
CAS Common Chemistry
Melting Point
5 °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 | 383.37 g/mol | CAS Common Chemistry |
| 383.366 g/mol | RDKit | |
| 383.13444278000003 g/mol | RDKit | |
| Boiling Point | 154 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCC)C(OC1=CC=C(OC2=NC=C(C=C2)C(F)(F)F)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VAIZTNZGPYBOGF-CYBMUJFWSA-N | CAS Common Chemistry |
| Melting Point | 5 °C | CAS Common Chemistry |
| Name | Fluazifop-P-butyl | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.650000000000006 Ų | RDKit |
| LogP | 5.003300000000005 | RDKit |
| Molar Refractivity | 91.71200000000003 | RDKit |
