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Molecule
4-[[(4-Fluorophenyl)Imino]Methyl]Phenol
CAS: 3382-63-6 · C13H10FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3382-63-6
- Molecular Formula
- C13H10FNO
- Molecular Mass
- 215.23 g/mol
Identifiers
CAS Registry Number
3382-63-6
SMILES
Oc1ccc(C=Nc2ccc(F)cc2)cc1
InChI Key
VNNJGDYPPLXJFF-UHFFFAOYSA-N
InChI
InChI=1S/C13H10FNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,16H
Names and Synonyms
- 4-[[(4-Fluorophenyl)Imino]Methyl]Phenol Synonym
- Phenol, 4-[[(4-fluorophenyl)imino]methyl]- Synonym
- Phenol, p-[N-(p-fluorophenyl)formimidoyl]- Synonym
- 4-[[(4-Fluorophenyl)imino]methyl]phenol Synonym
- 4-[(4-Fluorophenylimino)methyl]phenol Synonym
- N-(4-Hydroxybenzylidene)-4-fluorobenzenamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.23 g/mol | CAS Common Chemistry |
| 215.227 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(N=CC2=CC=C(O)C=C2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10FNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,16H | CAS Common Chemistry |
| InChI Key | InChIKey=VNNJGDYPPLXJFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 4-[[(4-Fluorophenyl)imino]methyl]phenol | 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 | 32.59 Ų | RDKit |
| LogP | 3.281900000000001 | RDKit |
| 3.2819 | RDKit | |
| Molar Refractivity | 61.760800000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 215.07464216 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 215.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10FNO.
