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4-Fluorobenzoic Acid Hydrazide
CAS: 456-06-4 | C7H7FN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
456-06-4
Molecular Formula:
C7H7FN2O
Molecular Weight:
154.14399999999998 g/mol
Names and Synonyms:
4-Fluorobenzoic Acid Hydrazide
4-Fluorobenzenecarboxylic hydrazide
4-Fluorobenzoylhydrazide
4-Fluorobenzoic hydrazide
p-Fluorobenzoyl hydrazide
4-Fluorobenzoic acid hydrazide
4-Fluorobenzoylhydrazine
4-Fluorobenzhydrazide
p-Fluorobenzoic acid hydrazide
Benzoic acid, p-fluoro-, hydrazide
Benzoic acid, 4-fluoro-, hydrazide
Identifiers:
SMILES:
NNC(=O)c1ccc(F)cc1
InChI:
InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.14399999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.054241064 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 55.12 Ų | RDKit |
| Physical Properties | LogP | 0.42919999999999975 | RDKit |
| molecular_mass | 154.14 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(NN)C1=CC=C(F)C=C1 | Legacy Database | |
| cas-inchi | InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11) | Legacy Database | |
| cas-inchi-key | InChIKey=UIVXXFYJRYVRKJ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 121-123 °C | Legacy Database | |
| cas-name | 4-Fluorobenzoic acid hydrazide | Legacy Database | |
| Molar | Molar Refractivity | 38.05360000000002 | RDKit |
