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Molecule
Benzoic Acid, 3-Fluoro-, Hydrazide
CAS: 499-55-8 · C7H7FN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 499-55-8
- Molecular Formula
- C7H7FN2O
- Molecular Mass
- 154.14 g/mol
Identifiers
CAS Registry Number
499-55-8
SMILES
NN=C(O)c1cccc(F)c1
InChI Key
UUISEXNUHLZEDB-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
Names and Synonyms
- Benzoic Acid, 3-Fluoro-, Hydrazide Synonym
- Benzoic acid, 3-fluoro-, hydrazide Synonym
- Benzoic acid, m-fluoro-, hydrazide Synonym
- m-Fluorobenzoic acid hydrazide Synonym
- 3-Fluorobenzoyl hydrazine Synonym
- 3-Fluorobenzoic acid hydrazide Synonym
- 3-Fluorobenzhydrazide Synonym
- NSC 522533 Synonym
- 3-Fluorobenzoic hydrazide Synonym
- 3-Fluorobenzohydrazide 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)C=1C=CC=C(F)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7FN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=UUISEXNUHLZEDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzoic acid, 3-fluoro-, 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 | 58.61 Ų | RDKit |
| LogP | 1.004 | RDKit |
| Molar Refractivity | 39.753200000000014 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
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.
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MW = 154.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7FN2O.
