Back to Search
Molecule
4-Chlorobenzoic Acid Hydrazide
CAS: 536-40-3 · C7H7ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 536-40-3
- Molecular Formula
- C7H7ClN2O
- Molecular Mass
- 170.60 g/mol
Identifiers
CAS Registry Number
536-40-3
SMILES
NNC(=O)c1ccc(Cl)cc1
InChI Key
PKBGHORNUFQAAW-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
Names and Synonyms
- 4-Chlorobenzoic Acid Hydrazide Synonym
- Benzoic acid, 4-chloro-, hydrazide Synonym
- Benzoic acid, p-chloro-, hydrazide Synonym
- p-Chlorobenzhydrazide Synonym
- p-Chlorobenzoic acid hydrazide Synonym
- p-Chlorobenzoylhydrazine Synonym
- p-Chlorobenzoyl hydrazide Synonym
- 4-Chlorobenzhydrazide Synonym
- p-Chlorobenzoic hydrazide Synonym
- p-Chlorobenzohydrazide Synonym
- 4-Chlorobenzohydrazide Synonym
- 4-Chlorobenzoic acid hydrazide Synonym
- 4-Chlorobenzoylhydrazide Synonym
- (4-Chlorobenzoyl)hydrazine Synonym
- 4-Chlorobenzenecarboxylic acid hydrazide Synonym
- 4-Chlorobenzoic hydrazide Synonym
- NSC 54990 Synonym
- INHd 15 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.60 g/mol | CAS Common Chemistry |
| 170.599 g/mol | RDKit | |
| 170.596 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NN)C1=CC=C(Cl)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=PKBGHORNUFQAAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164 °C | CAS Common Chemistry |
| Name | 4-Chlorobenzoic 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 | 0.9434999999999999 | RDKit |
| 0.9435 | RDKit | |
| 0.92 | chempirical lib | |
| Molar Refractivity | 43.10560000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 170.024690524 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.
External Resources
Convert
Quick conversion
MW = 170.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7ClN2O.
