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Fluoranthene
CAS: 206-44-0 | C16H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
206-44-0
Molecular Formula:
C16H10
Molecular Mass:
202.26 g/mol
Names and Synonyms:
Fluoranthene
Fluoranthene
Benzo[jk]fluorene
Idryl
1,2-(1,8-Naphthylene)benzene
Benzene, 1,2-(1,8-naphthalenediyl)-
NSC 6803
ClusterCarbon
Identifiers:
SMILES:
c1ccc2c(c1)-c1cccc3cccc-2c13
InChI:
InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
Key Properties
Boiling Point
384 °C
CAS Common Chemistry
Melting Point
111 °C
CAS Common Chemistry
Density
1.25 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 | 202.26 g/mol | CAS Common Chemistry |
| 202.25599999999997 g/mol | RDKit | |
| 202.07825032 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.252 g/cm3 @ Temp: 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluoranthene | CAS Common Chemistry |
| Boiling Point | 384 °C | CAS Common Chemistry |
| Canonical SMILES | C1=CC=C2C(=C1)C3=CC=CC4=CC=CC2=C43 | CAS Common Chemistry |
| InChI | InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=GVEPBJHOBDJJJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111 °C | CAS Common Chemistry |
| Name | Fluoranthene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.487200000000002 | RDKit |
| Molar Refractivity | 68.37800000000004 | RDKit |
