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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
Names and Synonyms:
4-Chlorobenzoic Acid Hydrazide
Benzoic acid, 4-chloro-, hydrazide
Benzoic acid, p-chloro-, hydrazide
p-Chlorobenzhydrazide
p-Chlorobenzoic acid hydrazide
p-Chlorobenzoylhydrazine
p-Chlorobenzoyl hydrazide
4-Chlorobenzhydrazide
p-Chlorobenzoic hydrazide
p-Chlorobenzohydrazide
4-Chlorobenzohydrazide
4-Chlorobenzoic acid hydrazide
4-Chlorobenzoylhydrazide
(4-Chlorobenzoyl)hydrazine
4-Chlorobenzenecarboxylic acid hydrazide
4-Chlorobenzoic hydrazide
NSC 54990
INHd 15
Identifiers:
SMILES:
NNC(=O)c1ccc(Cl)cc1
InChI:
InChI=1S/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
Key Properties
Melting Point
164 °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 | 170.60 g/mol | CAS Common Chemistry |
| 170.599 g/mol | RDKit | |
| 170.024690524 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 43.10560000000001 | RDKit |
