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Hydrazine, (2-Nitrophenyl)-, Hydrochloride (1:1)
CAS: 6293-87-4 | C6H8ClN3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6293-87-4
Molecular Formula:
C6H8ClN3O2
Molecular Mass:
189.60 g/mol
Names and Synonyms:
Hydrazine, (2-Nitrophenyl)-, Hydrochloride (1:1)
Hydrazine, (2-nitrophenyl)-, hydrochloride (1:1)
Hydrazine, (o-nitrophenyl)-, monohydrochloride
Hydrazine, (2-nitrophenyl)-, monohydrochloride
o-Nitrophenylhydrazine hydrochloride
(o-Nitrophenyl)hydrazine monohydrochloride
2-Nitrophenylhydrazine monohydrochloride
(2-Nitrophenyl)hydrazine hydrochloride
Identifiers:
SMILES:
Cl.NNc1ccccc1[N+](=O)[O-]
InChI:
InChI=1S/C6H7N3O2.ClH/c7-8-5-3-1-2-4-6(5)9(10)11;/h1-4,8H,7H2;1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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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 | 189.60 g/mol | CAS Common Chemistry |
| 189.60199999999998 g/mol | RDKit | |
| 189.030504176 g/mol | RDKit | |
| Canonical SMILES | Cl.O=N(=O)C=1C=CC=CC1NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N3O2.ClH/c7-8-5-3-1-2-4-6(5)9(10)11;/h1-4,8H,7H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XCUBVSAYUSFHNN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydrazine, (2-nitrophenyl)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 81.19 Ų | RDKit |
| LogP | 1.3021999999999998 | RDKit |
| Molar Refractivity | 48.1545 | RDKit |
