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2-Nitrobenzohydrazide
CAS: 606-26-8 | C7H7N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
606-26-8
Molecular Formula:
C7H7N3O3
Molecular Mass:
181.15 g/mol
Names and Synonyms:
2-Nitrobenzohydrazide
Benzoic acid, 2-nitro-, hydrazide
Benzoic acid, o-nitro-, hydrazide
o-Nitrobenzoylhydrazine
o-Nitrobenzoic acid hydrazide
o-Nitrobenzhydrazide
2-Nitrobenzohydrazide
o-Nitrobenzoylhydrazide
2-Nitrobenzoic acid hydrazide
o-Nitrobenzoic hydrazide
2-Nitrobenzoylhydrazine
2-Nitrobenzenecarboxylic acid hydrazide
2-Nitrobenzoyl acid hydrazide
NSC 61870
2-Nitrobenzoic hydrazide
INHd 19
2-Nitrobenzoylhydrazide
2-Nitrobenzhydrazide
Identifiers:
SMILES:
NN=C(O)c1ccccc1[N+](=O)[O-]
InChI:
InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)
Key Properties
Melting Point
124 °C
CAS Common Chemistry
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 | 181.15 g/mol | CAS Common Chemistry |
| 181.15099999999995 g/mol | RDKit | |
| 181.048741084 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1C=CC=CC1N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=LYGGDXLOJMNFBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124 °C | CAS Common Chemistry |
| Name | 2-Nitrobenzohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 101.75 Ų | RDKit |
| LogP | 0.7730999999999999 | RDKit |
| Molar Refractivity | 46.449600000000004 | RDKit |
