Back to Search
1-(4-Chlorophenyl)Cyclopropanecarboxylic Acid
CAS: 72934-37-3 | C10H9ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
72934-37-3
Molecular Formula:
C10H9ClO2
Molecular Mass:
196.63 g/mol
Names and Synonyms:
1-(4-Chlorophenyl)Cyclopropanecarboxylic Acid
Cyclopropanecarboxylic acid, 1-(4-chlorophenyl)-
1-(4-Chlorophenyl)cyclopropanecarboxylic acid
1-(4-Chlorophenyl)-1-cyclopropanecarboxylic acid
NSC 152142
Identifiers:
SMILES:
O=C(O)C1(c2ccc(Cl)cc2)CC1
InChI:
InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
Key Properties
Melting Point
154-156 °C @ Solvent: Ethanol
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 | 196.63 g/mol | CAS Common Chemistry |
| 196.63299999999998 g/mol | RDKit | |
| 196.029107208 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1(C2=CC=C(Cl)C=C2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=YAHLWSGIQJATGG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154-156 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 1-(4-Chlorophenyl)cyclopropanecarboxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.456200000000001 | RDKit |
| Molar Refractivity | 49.99980000000002 | RDKit |
