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Hydrazine, (3-Chloro-4-Fluorophenyl)-, Hydrochloride (1:1)
CAS: 175135-74-7 | C6H7Cl2FN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
175135-74-7
Molecular Formula:
C6H7Cl2FN2
Molecular Mass:
197.04 g/mol
Names and Synonyms:
Hydrazine, (3-Chloro-4-Fluorophenyl)-, Hydrochloride (1:1)
Hydrazine, (3-chloro-4-fluorophenyl)-, hydrochloride (1:1)
Hydrazine, (3-chloro-4-fluorophenyl)-, monohydrochloride
3-Chloro-4-fluorophenylhydrazine hydrochloride
Identifiers:
SMILES:
Cl.NNc1ccc(F)c(Cl)c1
InChI:
InChI=1S/C6H6ClFN2.ClH/c7-5-3-4(10-9)1-2-6(5)8;/h1-3,10H,9H2;1H
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 | 197.04 g/mol | CAS Common Chemistry |
| 197.03999999999996 g/mol | RDKit | |
| 195.997031804 g/mol | RDKit | |
| Canonical SMILES | Cl.FC1=CC=C(C=C1Cl)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H6ClFN2.ClH/c7-5-3-4(10-9)1-2-6(5)8;/h1-3,10H,9H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=DWCDDXINAZHRLK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydrazine, (3-chloro-4-fluorophenyl)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 2.1864999999999997 | RDKit |
| Molar Refractivity | 46.46810000000001 | RDKit |
