Back to Search
Molecule
4-Chlorobenzamide
CAS: 619-56-7 · C7H6ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 619-56-7
- Molecular Formula
- C7H6ClNO
- Molecular Mass
- 155.58 g/mol
Identifiers
CAS Registry Number
619-56-7
SMILES
NC(=O)c1ccc(Cl)cc1
InChI Key
BLNVISNJTIRAHF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
Names and Synonyms
- 4-Chlorobenzamide Synonym
- Benzamide, 4-chloro- Synonym
- Benzamide, p-chloro- Synonym
- 4-Chlorobenzamide Synonym
- p-Chlorobenzamide Synonym
- p-Chlorobenzoic acid amide Synonym
- NSC 406894 Synonym
- NSC 74687 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.58 g/mol | CAS Common Chemistry |
| 155.584 g/mol | RDKit | |
| 155.581 g/mol | chempirical lib | |
| Canonical SMILES | O=C(N)C1=CC=C(Cl)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=BLNVISNJTIRAHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174 °C | CAS Common Chemistry |
| Name | 4-Chlorobenzamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.09 Ų | RDKit |
| LogP | 1.4389 | RDKit |
| Molar Refractivity | 39.96990000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 155.013791492 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 = 155.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6ClNO.
