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2-Amino-6-Fluorophenol
CAS: 53981-25-2 | C6H6FNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53981-25-2
Molecular Formula:
C6H6FNO
Molecular Mass:
127.12 g/mol
Names and Synonyms:
2-Amino-6-Fluorophenol
Phenol, 2-amino-6-fluoro-
2-Amino-6-fluorophenol
Identifiers:
SMILES:
Nc1cccc(F)c1O
InChI:
InChI=1S/C6H6FNO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H,8H2
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 | 127.12 g/mol | CAS Common Chemistry |
| 127.118 g/mol | RDKit | |
| 127.043342032 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=CC(N)=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C6H6FNO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MDIAVSZFIQWYST-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Amino-6-fluorophenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 1.1135 | RDKit |
| Molar Refractivity | 32.4772 | RDKit |
