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4-Fluorobenzophenone
CAS: 345-83-5 | C13H9FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
345-83-5
Molecular Formula:
C13H9FO
Molecular Mass:
200.21 g/mol
Names and Synonyms:
4-Fluorobenzophenone
Methanone, (4-fluorophenyl)phenyl-
Benzophenone, 4-fluoro-
(4-Fluorophenyl)phenylmethanone
4-Fluorobenzophenone
p-Fluorobenzophenone
Phenyl 4-fluorophenyl ketone
p-Fluorophenyl phenyl ketone
NSC 88321
4-Fluorophenyl phenyl ketone
1-(4′-Fluorophenyl)-phenylmethanone
Identifiers:
SMILES:
O=C(c1ccccc1)c1ccc(F)cc1
InChI:
InChI=1S/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
Key Properties
Melting Point
48 °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 | 200.21 g/mol | CAS Common Chemistry |
| 200.212 g/mol | RDKit | |
| 200.063743128 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(F)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H | CAS Common Chemistry |
| InChI Key | InChIKey=OGTSHGYHILFRHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48 °C | CAS Common Chemistry |
| Name | 4-Fluorobenzophenone | 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 | 3.056700000000001 | RDKit |
| Molar Refractivity | 56.27450000000002 | RDKit |
