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Bifenazate
CAS: 149877-41-8 | C17H20N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
149877-41-8
Molecular Formula:
C17H20N2O3
Molecular Mass:
300.36 g/mol
Names and Synonyms:
Bifenazate
Hydrazinecarboxylic acid, 2-(4-methoxy[1,1′-biphenyl]-3-yl)-, 1-methylethyl ester
1-Methylethyl 2-(4-methoxy[1,1′-biphenyl]-3-yl)-hydrazinecarboxylate
Isopropyl 3-(4-methoxy-3-biphenylyl)carbazate
D 2341
Bifenazate
Floramite
Acramite
Lianbenjingzhi
Identifiers:
SMILES:
COc1ccc(-c2ccccc2)cc1NN=C(O)OC(C)C
InChI:
InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)
Key Properties
Melting Point
120-124 °C
CAS Common Chemistry
Density
1.31 g/cm³
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 | 300.36 g/mol | CAS Common Chemistry |
| 300.35800000000006 g/mol | RDKit | |
| 300.1473925 g/mol | RDKit | |
| Density | 1.31 g/cm³ | CAS Common Chemistry |
| 1.31 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC(C)C)NNC=1C=C(C=CC1OC)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=VHLKTXFWDRXILV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120-124 °C | CAS Common Chemistry |
| Name | Bifenazate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 63.08 Ų | RDKit |
| LogP | 4.028100000000002 | RDKit |
| Molar Refractivity | 88.33750000000005 | RDKit |
