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Molecule
[C(Z)]-4-Fluorobenzaldehyde Oxime
CAS: 588-95-4 · C7H6FNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 588-95-4
- Molecular Formula
- C7H6FNO
- Molecular Mass
- 139.13 g/mol
Identifiers
CAS Registry Number
588-95-4
SMILES
O/N=Cc1ccc(F)cc1
InChI Key
FSKSLWXDUJVTHE-UITAMQMPSA-N
InChI
InChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5-
Names and Synonyms
- [C(Z)]-4-Fluorobenzaldehyde Oxime Common Name
- Benzaldehyde, 4-fluoro-, oxime, [C(Z)]- Synonym
- Benzaldehyde, p-fluoro-, oxime, (Z)- Synonym
- [C(Z)]-4-Fluorobenzaldehyde oxime Synonym
- (Z)-4-Fluorobenzaldehyde oxime Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.13 g/mol | CAS Common Chemistry |
| 139.129 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(C=NO)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5- | CAS Common Chemistry |
| InChI Key | InChIKey=FSKSLWXDUJVTHE-UITAMQMPSA-N | CAS Common Chemistry |
| Name | [C(Z)]-4-Fluorobenzaldehyde oxime | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.6338 | RDKit |
| Molar Refractivity | 35.78050000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 139.043342032 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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140
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20
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.
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MW = 139.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6FNO.
