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Molecule
(4-Chlorophenyl)(5-Fluoro-2-Hydroxyphenyl)Methanone
CAS: 62433-26-5 · C13H8ClFO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 62433-26-5
- Molecular Formula
- C13H8ClFO2
- Molecular Mass
- 250.66 g/mol
Identifiers
CAS Registry Number
62433-26-5
SMILES
O=C(c1ccc(Cl)cc1)c1cc(F)ccc1O
InChI Key
AYBQWBCUAWOLCT-UHFFFAOYSA-N
InChI
InChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7,16H
Names and Synonyms
- (4-Chlorophenyl)(5-Fluoro-2-Hydroxyphenyl)Methanone Synonym
- Methanone, (4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)- Synonym
- (4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methanone Synonym
- SL 79-182 Synonym
- SL 79-182-00 Synonym
- 4′-Chloro-5-fluoro-2-hydroxybenzophenone Synonym
- 4-Chloro-2′-hydroxy-5′-fluorobenzophenone Synonym
- 2-(4-Chlorobenzoyl)-4-fluorophenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.66 g/mol | CAS Common Chemistry |
| 250.656 g/mol | RDKit | |
| 250.653 g/mol | chempirical lib | |
| Canonical SMILES | O=C(C1=CC=C(Cl)C=C1)C2=CC(F)=CC=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7,16H | CAS Common Chemistry |
| InChI Key | InChIKey=AYBQWBCUAWOLCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65-66 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | (4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methanone | CAS Common Chemistry |
| Heavy Atom Count | 17 | 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 | 3.4157000000000015 | RDKit |
| 3.4157 | RDKit | |
| Molar Refractivity | 62.94930000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 250.019685396 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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 = 250.66 g/mol. Edit any field — others recompute live.
