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Molecule
Benzophenone 7
CAS: 85-19-8 · C13H9ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 85-19-8
- Molecular Formula
- C13H9ClO2
- Molecular Mass
- 232.67 g/mol
Identifiers
CAS Registry Number
85-19-8
SMILES
O=C(c1ccccc1)c1cc(Cl)ccc1O
InChI Key
OMWSZDODENFLSV-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H
Names and Synonyms
- Benzophenone 7 Common Name
- Methanone, (5-chloro-2-hydroxyphenyl)phenyl- Synonym
- Benzophenone, 5-chloro-2-hydroxy- Synonym
- (5-Chloro-2-hydroxyphenyl)phenylmethanone Synonym
- 2-Hydroxy-5-chlorobenzophenone Synonym
- 3-Chloro-6-hydroxybenzophenone Synonym
- 5-Chloro-2-hydroxybenzophenone Synonym
- DOW HCB Synonym
- UV Absorber NL/5 Synonym
- 2-Benzoyl-4-chlorophenol Synonym
- Ch 11 Synonym
- Benzophenone 7 Synonym
- NSC 33407 Synonym
- (2-Hydroxy-5-chlorophenyl)phenylmethanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.67 g/mol | CAS Common Chemistry |
| 232.666 g/mol | RDKit | |
| 232.663 g/mol | chempirical lib | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC(Cl)=CC=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H | CAS Common Chemistry |
| InChI Key | InChIKey=OMWSZDODENFLSV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-95 °C | CAS Common Chemistry |
| Name | Benzophenone 7 | 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 | 3.2766000000000015 | RDKit |
| 3.2766 | RDKit | |
| Molar Refractivity | 62.991300000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 232.029107208 g/mol | RDKit |
| Boiling Point | 147-149 °C @ 0.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 232.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9ClO2.
