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Molecule
4-Fluorobenzoic Acid Hydrazide
CAS: 456-06-4 · C7H7FN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 456-06-4
- Molecular Formula
- C7H7FN2O
- Molecular Mass
- 154.14 g/mol
Identifiers
CAS Registry Number
456-06-4
SMILES
NNC(=O)c1ccc(F)cc1
InChI Key
UIVXXFYJRYVRKJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
Names and Synonyms
- 4-Fluorobenzoic Acid Hydrazide Systematic Name
- Benzoic acid, 4-fluoro-, hydrazide Synonym
- Benzoic acid, p-fluoro-, hydrazide Synonym
- p-Fluorobenzoic acid hydrazide Synonym
- 4-Fluorobenzhydrazide Synonym
- 4-Fluorobenzoylhydrazine Synonym
- 4-Fluorobenzoic acid hydrazide Synonym
- p-Fluorobenzoyl hydrazide Synonym
- 4-Fluorobenzoic hydrazide Synonym
- 4-Fluorobenzoylhydrazide Synonym
- 4-Fluorobenzenecarboxylic hydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.14 g/mol | CAS Common Chemistry |
| 154.14399999999998 g/mol | RDKit | |
| 154.144 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=C(F)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=UIVXXFYJRYVRKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 121-123 °C | CAS Common Chemistry |
| Name | 4-Fluorobenzoic acid hydrazide | 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 | 55.12 Ų | RDKit |
| LogP | 0.42919999999999975 | RDKit |
| 0.4292 | RDKit | |
| Molar Refractivity | 38.05360000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 154.054241064 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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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.
External Resources
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MW = 154.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7FN2O.
