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Molecule
2,2-Dichlorocyclopropanecarboxamide
CAS: 75885-60-8 · C4H5Cl2NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75885-60-8
- Molecular Formula
- C4H5Cl2NO
- Molecular Mass
- 154.00 g/mol
Identifiers
CAS Registry Number
75885-60-8
SMILES
N=C(O)C1CC1(Cl)Cl
InChI Key
POUMCBWMYUEVKF-UHFFFAOYSA-N
InChI
InChI=1S/C4H5Cl2NO/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H2,7,8)
Names and Synonyms
- 2,2-Dichlorocyclopropanecarboxamide Systematic Name
- Cyclopropanecarboxamide, 2,2-dichloro- Synonym
- 2,2-Dichlorocyclopropanecarboxamide Synonym
- 2,2-Dichlorocyclopropane-1-carboxamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.00 g/mol | CAS Common Chemistry |
| 153.996 g/mol | RDKit | |
| 153.99 g/mol | chempirical lib | |
| 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 |
| 1.7155 | RDKit | |
| 1.74 | chempirical lib | |
| Molar Refractivity | 32.899499999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 152.97481914 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 154.00 g/mol. Edit any field — others recompute live.
