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2-Chloro-N-(2-Fluorophenyl)Acetamide
CAS: 347-66-0 | C8H7ClFNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
347-66-0
Molecular Formula:
C8H7ClFNO
Molecular Mass:
187.60 g/mol
Names and Synonyms:
2-Chloro-N-(2-Fluorophenyl)Acetamide
Acetamide, 2-chloro-N-(2-fluorophenyl)-
Acetanilide, 2-chloro-2′-fluoro-
2-Chloro-N-(2-fluorophenyl)acetamide
N-(2-Fluorophenyl)-2-chloroacetamide
Identifiers:
SMILES:
OC(CCl)=Nc1ccccc1F
InChI:
InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
Key Properties
Melting Point
88-90 °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 | 187.60 g/mol | CAS Common Chemistry |
| 187.601 g/mol | RDKit | |
| 187.020019744 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1F)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=YHJYFDQKFJQLNL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88-90 °C | CAS Common Chemistry |
| Name | 2-Chloro-N-(2-fluorophenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.6525000000000007 | RDKit |
| Molar Refractivity | 46.84380000000001 | RDKit |
