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2-Acetylaminofluorene
CAS: 53-96-3 | C15H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53-96-3
Molecular Formula:
C15H13NO
Molecular Mass:
223.27 g/mol
Names and Synonyms:
2-Acetylaminofluorene
Acetamide, N-9H-fluoren-2-yl-
Acetamide, N-fluoren-2-yl-
N-9H-Fluoren-2-ylacetamide
2-AAF
AAF
2-Acetamidofluorene
FAA
N-2-Fluorenylacetamide
2-FAA
2-(Acetylamino)fluorene
NSC 12279
Identifiers:
SMILES:
CC(O)=Nc1ccc2c(c1)Cc1ccccc1-2
InChI:
InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
Key Properties
Boiling Point
303 °C
CAS Common Chemistry
Melting Point
194 °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 | 223.27 g/mol | CAS Common Chemistry |
| 223.27499999999998 g/mol | RDKit | |
| 223.099714036 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Acetylaminofluorene | CAS Common Chemistry |
| Boiling Point | 303 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=CC=C2C=3C=CC=CC3CC2=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=CZIHNRWJTSTCEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194 °C | CAS Common Chemistry |
| Name | AAF | CAS Common Chemistry |
| 2-Acetylaminofluorene | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.865700000000002 | RDKit |
| Molar Refractivity | 70.08180000000003 | RDKit |
