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(3,4-Difluorophenyl)Hydrazine
CAS: 161886-22-2 | C6H6F2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
161886-22-2
Molecular Formula:
C6H6F2N2
Molecular Weight:
144.124 g/mol
Names and Synonyms:
(3,4-Difluorophenyl)Hydrazine
Hydrazine, (3,4-difluorophenyl)-
(3,4-Difluorophenyl)hydrazine
3,4-Difluorophenylhydrazine
Identifiers:
SMILES:
NNc1ccc(F)c(F)c1
InChI:
InChI=1S/C6H6F2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 144.12 g/mol | Legacy Database |
| cas-canonical-smile | FC1=CC=C(C=C1F)NN None | Legacy Database |
| cas-inchi | InChI=1S/C6H6F2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=KBSCNXDDCDSLLP-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (3,4-Difluorophenyl)hydrazine None | Legacy Database |
| LogP | 1.2504000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.124 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.049904632 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.05 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.16810000000002 | RDKit |
