Back to Search
Molecule
Benzo(K)Fluoranthene
CAS: 207-08-9 · C20H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 207-08-9
- Molecular Formula
- C20H12
- Molecular Mass
- 252.32 g/mol
Identifiers
CAS Registry Number
207-08-9
SMILES
c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
InChI Key
HAXBIWFMXWRORI-UHFFFAOYSA-N
InChI
InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
Names and Synonyms
- Benzo(K)Fluoranthene Synonym
- Benzo[k]fluoranthene Synonym
- Dibenzo[b,jk]fluorene Synonym
- 11,12-Benzofluoranthene Synonym
- 2,3,1′,8′-Binaphthylene Synonym
- 8,9-Benzofluoranthene Synonym
- 8,9-Benzfluoranthene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.32 g/mol | CAS Common Chemistry |
| 252.31599999999997 g/mol | RDKit | |
| 252.316 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzo(k)fluoranthene | CAS Common Chemistry |
| Boiling Point | 480 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=C3C4=CC=CC5=CC=CC(C3=CC2C1)=C54 | CAS Common Chemistry |
| InChI | InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H | CAS Common Chemistry |
| InChI Key | InChIKey=HAXBIWFMXWRORI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 217 °C | CAS Common Chemistry |
| Name | Benzo[k]fluoranthene | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.640400000000003 | RDKit |
| 5.6404 | RDKit | |
| Molar Refractivity | 85.88400000000003 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 252.093900384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 252.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H12.
