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(4-Chlorophenyl)Cyclopropylmethanone
CAS: 6640-25-1 | C10H9ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6640-25-1
Molecular Formula:
C10H9ClO
Molecular Mass:
180.63 g/mol
Names and Synonyms:
(4-Chlorophenyl)Cyclopropylmethanone
Methanone, (4-chlorophenyl)cyclopropyl-
Ketone, p-chlorophenyl cyclopropyl
(4-Chlorophenyl)cyclopropylmethanone
p-Chlorophenyl cyclopropyl ketone
4-Chlorophenyl cyclopropyl ketone
(p-Chlorobenzoyl)cyclopropane
Cyclopropyl 4-chlorophenyl ketone
NSC 49315
Identifiers:
SMILES:
O=C(c1ccc(Cl)cc1)C1CC1
InChI:
InChI=1S/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
Key Properties
Boiling Point
132-133 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
23-24 °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 | 180.63 g/mol | CAS Common Chemistry |
| 180.634 g/mol | RDKit | |
| 180.034192588 g/mol | RDKit | |
| Boiling Point | 132-133 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(Cl)C=C1)C2CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OPSFCTBBDIDFJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 23-24 °C | CAS Common Chemistry |
| Name | (4-Chlorophenyl)cyclopropylmethanone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.9327000000000014 | RDKit |
| Molar Refractivity | 48.506500000000024 | RDKit |
