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Molecule
Hydrazine, (3,5-Difluorophenyl)-, Hydrochloride (1:1)
CAS: 502496-27-7 · C6H7ClF2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 502496-27-7
- Molecular Formula
- C6H7ClF2N2
- Molecular Mass
- 180.59 g/mol
Identifiers
CAS Registry Number
502496-27-7
SMILES
Cl.NNc1cc(F)cc(F)c1
InChI Key
CKCNKYAHVKNKHQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6F2N2.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3,10H,9H2;1H
Names and Synonyms
- Hydrazine, (3,5-Difluorophenyl)-, Hydrochloride (1:1) Synonym
- Hydrazine, (3,5-difluorophenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, (3,5-difluorophenyl)-, monohydrochloride Synonym
- 3,5-Difluorophenylhydrazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.59 g/mol | CAS Common Chemistry |
| 180.58499999999998 g/mol | RDKit | |
| 180.585 g/mol | RDKit | |
| 180.582 g/mol | chempirical lib | |
| Canonical SMILES | Cl.FC=1C=C(F)C=C(C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H6F2N2.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3,10H,9H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=CKCNKYAHVKNKHQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydrazine, (3,5-difluorophenyl)-, 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 | 1.6722 | RDKit |
| Molar Refractivity | 41.41610000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 180.026582344 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 180.59 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7ClF2N2.
