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4′-Fluoro[1,1′-Biphenyl]-4-Amine
CAS: 324-93-6 | C12H10FN
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
324-93-6
Molecular Formula:
C12H10FN
Molecular Mass:
187.22 g/mol
Names and Synonyms:
4′-Fluoro[1,1′-Biphenyl]-4-Amine
[1,1′-Biphenyl]-4-amine, 4′-fluoro-
4-Biphenylamine, 4′-fluoro-
4′-Fluoro[1,1′-biphenyl]-4-amine
4-(p-Fluorophenyl)aniline
4-(4-Fluorophenyl)aniline
4-Amino-4′-fluorobiphenyl
4′-Fluoro-4-aminobiphenyl
4′-Fluoro-p-phenylaniline
4′-Fluoro-4-biphenylamine
NSC 88341
(4′-Fluorobiphenyl-4-yl)amine
Identifiers:
SMILES:
Nc1ccc(-c2ccc(F)cc2)cc1
InChI:
InChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2
Key Properties
Melting Point
120 °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 | 187.22 g/mol | CAS Common Chemistry |
| 187.217 g/mol | RDKit | |
| 187.07972754 g/mol | RDKit | |
| Canonical SMILES | FC=1C=CC(=CC1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HTRVALPKPVGOSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C | CAS Common Chemistry |
| Name | 4′-Fluoro[1,1′-biphenyl]-4-amine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.0749000000000013 | RDKit |
| Molar Refractivity | 56.24840000000002 | RDKit |
