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Molecule
Hydrazine, (3-Chloro-4-Fluorophenyl)-, Hydrochloride (1:1)
CAS: 175135-74-7 · C6H7Cl2FN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 175135-74-7
- Molecular Formula
- C6H7Cl2FN2
- Molecular Mass
- 197.04 g/mol
Identifiers
CAS Registry Number
175135-74-7
SMILES
Cl.NNc1ccc(F)c(Cl)c1
InChI Key
DWCDDXINAZHRLK-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClFN2.ClH/c7-5-3-4(10-9)1-2-6(5)8;/h1-3,10H,9H2;1H
Names and Synonyms
- Hydrazine, (3-Chloro-4-Fluorophenyl)-, Hydrochloride (1:1) Synonym
- Hydrazine, (3-chloro-4-fluorophenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, (3-chloro-4-fluorophenyl)-, monohydrochloride Synonym
- 3-Chloro-4-fluorophenylhydrazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.04 g/mol | CAS Common Chemistry |
| 197.03999999999996 g/mol | RDKit | |
| 197.034 g/mol | chempirical lib | |
| 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 |
| 2.1865 | RDKit | |
| 2.22 | chempirical lib | |
| Molar Refractivity | 46.46810000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 195.997031804 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 197.04 g/mol. Edit any field — others recompute live.
