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9-Ethyl-3-Nitro-9H-Carbazole
CAS: 86-20-4 | C14H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-20-4
Molecular Formula:
C14H12N2O2
Molecular Mass:
240.26 g/mol
Names and Synonyms:
9-Ethyl-3-Nitro-9H-Carbazole
9H-Carbazole, 9-ethyl-3-nitro-
Carbazole, 9-ethyl-3-nitro-
9-Ethyl-3-nitro-9H-carbazole
9-Ethyl-3-nitrocarbazole
3-Nitro-N-ethylcarbazole
3-Nitro-9-ethylcarbazole
N-Ethyl-3-nitrocarbazole
NSC 17817
6-Nitro-9-ethylCarbazole
Identifiers:
SMILES:
CCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChI:
InChI=1S/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3
Key Properties
Melting Point
126-127 °C @ Solvent: Heptane
CAS Common Chemistry
Density
1.35 g/cm³
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 | 240.26 g/mol | CAS Common Chemistry |
| 240.26199999999997 g/mol | RDKit | |
| 240.089877624 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.35 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=N(=O)C1=CC=C2C(=C1)C=3C=CC=CC3N2CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WONHLSYSHMRRGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126-127 °C @ Solvent: Heptane | CAS Common Chemistry |
| Name | 9-Ethyl-3-nitro-9H-carbazole | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 48.06999999999999 Ų | RDKit |
| LogP | 3.7226000000000026 | RDKit |
| Molar Refractivity | 71.77240000000002 | RDKit |
