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Molecule
11H-Benzo[B]Fluorene
CAS: 243-17-4 · C17H12
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 243-17-4
- Molecular Formula
- C17H12
- Molecular Mass
- 216.28 g/mol
Identifiers
CAS Registry Number
243-17-4
SMILES
c1ccc2c(c1)Cc1cc3ccccc3cc1-2
InChI Key
HAPOJKSPCGLOOD-UHFFFAOYSA-N
InChI
InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2
Names and Synonyms
- 11H-Benzo[B]Fluorene Synonym
- 11H-Benzo[b]fluorene Synonym
- Benzo[b]fluorene Synonym
- 2,3-Benzofluorene Synonym
- NSC 89263 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.28 g/mol | CAS Common Chemistry |
| 216.283 g/mol | RDKit | |
| Boiling Point | 401-402 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=C3C(=CC2C1)C=4C=CC=CC4C3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HAPOJKSPCGLOOD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212 °C | CAS Common Chemistry |
| Name | 11H-Benzo[b]fluorene | CAS Common Chemistry |
| Heavy Atom Count | 17 | 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 | 4.411000000000002 | RDKit |
| 4.411 | RDKit | |
| Molar Refractivity | 72.19000000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0588 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 216.093900384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 216.28 g/mol. Edit any field — others recompute live.
