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Molecule
2-Chlorobenzophenone
CAS: 5162-03-8 · C13H9ClO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5162-03-8
- Molecular Formula
- C13H9ClO
- Molecular Mass
- 216.67 g/mol
Identifiers
CAS Registry Number
5162-03-8
SMILES
O=C(c1ccccc1)c1ccccc1Cl
InChI Key
VMHYWKBKHMYRNF-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
Names and Synonyms
- 2-Chlorobenzophenone Systematic Name
- Methanone, (2-chlorophenyl)phenyl- Synonym
- Benzophenone, 2-chloro- Synonym
- (2-Chlorophenyl)phenylmethanone Synonym
- 2-Chlorobenzophenone Synonym
- o-Chlorobenzophenone Synonym
- 2-Chlorophenyl phenyl ketone Synonym
- NSC 62529 Synonym
- 2-Benzoylphenyl chloride Synonym
- (2-Chlorophenyl)(phenyl)methanone Synonym
- 2-CBP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.67 g/mol | CAS Common Chemistry |
| 216.667 g/mol | RDKit | |
| 216.664 g/mol | chempirical lib | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C=2C=CC=CC2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H | CAS Common Chemistry |
| InChI Key | InChIKey=VMHYWKBKHMYRNF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52-56 °C | CAS Common Chemistry |
| Name | 2-Chlorobenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.5710000000000015 | RDKit |
| 3.571 | RDKit | |
| Molar Refractivity | 61.326500000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 216.034192588 g/mol | RDKit |
| Boiling Point | 185-188 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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.
External Resources
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MW = 216.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9ClO.
