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2,2-Dichlorocyclopropanecarboxamide
CAS: 75885-60-8 | C4H5Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75885-60-8
Molecular Formula:
C4H5Cl2NO
Molecular Mass:
154.00 g/mol
Names and Synonyms:
2,2-Dichlorocyclopropanecarboxamide
Cyclopropanecarboxamide, 2,2-dichloro-
2,2-Dichlorocyclopropanecarboxamide
2,2-Dichlorocyclopropane-1-carboxamide
Identifiers:
SMILES:
N=C(O)C1CC1(Cl)Cl
InChI:
InChI=1S/C4H5Cl2NO/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H2,7,8)
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 |
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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 | 154.00 g/mol | CAS Common Chemistry |
| 153.996 g/mol | RDKit | |
| 152.97481914 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1CC1(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C4H5Cl2NO/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=POUMCBWMYUEVKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2-Dichlorocyclopropanecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 1.71547 | RDKit |
| Molar Refractivity | 32.899499999999996 | RDKit |
