Back to Search
Molecule
2′-Fluoro[1,1′-Biphenyl]-2-Carboxaldehyde
CAS: 223575-95-9 · C13H9FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 223575-95-9
- Molecular Formula
- C13H9FO
- Molecular Mass
- 200.21 g/mol
Identifiers
CAS Registry Number
223575-95-9
SMILES
O=Cc1ccccc1-c1ccccc1F
InChI Key
KKOOBRYMWSXJFU-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-9H
Names and Synonyms
- 2′-Fluoro[1,1′-Biphenyl]-2-Carboxaldehyde Systematic Name
- [1,1′-Biphenyl]-2-carboxaldehyde, 2′-fluoro- Synonym
- 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde Synonym
- 2-(2-Fluorophenyl)benzaldehyde Synonym
- 2′-Fluorobiphenyl-2-carboxaldehyde Synonym
- 2′-Fluoro-[1,1′-biphenyl]-2-carbaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.21 g/mol | CAS Common Chemistry |
| 200.212 g/mol | RDKit | |
| Canonical SMILES | O=CC=1C=CC=CC1C=2C=CC=CC2F | CAS Common Chemistry |
| InChI | InChI=1S/C13H9FO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-9H | CAS Common Chemistry |
| InChI Key | InChIKey=KKOOBRYMWSXJFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde | 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 | 3.305200000000001 | RDKit |
| 3.3052 | RDKit | |
| Molar Refractivity | 57.223500000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 200.063743128 g/mol | RDKit |
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
Convert
Quick conversion
MW = 200.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9FO.
