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4-Chloro-4′-Hydroxybenzophenone
CAS: 42019-78-3 | C13H9ClO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
42019-78-3
Molecular Formula:
C13H9ClO2
Molecular Mass:
232.67 g/mol
Names and Synonyms:
4-Chloro-4′-Hydroxybenzophenone
4-(4-Chlorobenzoyl)phenol
Methanone, (4-chlorophenyl)(4-hydroxyphenyl)-
Benzophenone, 4-chloro-4′-hydroxy-
(4-Chlorophenyl)(4-hydroxyphenyl)methanone
4-Hydroxy-4′-chlorobenzophenone
4-p-Chlorobenzoylphenol
4-Chloro-4′-hydroxybenzophenone
1-(4-Chlorophenyl)-1-(4-hydroxyphenyl)methanone
4′-Chloro-4-hydroxybenzophenone
Identifiers:
SMILES:
O=C(c1ccc(O)cc1)c1ccc(Cl)cc1
InChI:
InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
Key Properties
Melting Point
179 °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 | 232.67 g/mol | CAS Common Chemistry |
| 232.666 g/mol | RDKit | |
| 232.029107208 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(Cl)C=C1)C2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H | CAS Common Chemistry |
| InChI Key | InChIKey=RUETVLNXAGWCDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179 °C | CAS Common Chemistry |
| Name | 4-Chloro-4′-hydroxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.276600000000001 | RDKit |
| Molar Refractivity | 62.991300000000024 | RDKit |
