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Molecule
Fluorene
CAS: 86-73-7 · C13H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 86-73-7
- Molecular Formula
- C13H10
- Molecular Mass
- 166.22 g/mol
Identifiers
CAS Registry Number
86-73-7
SMILES
c1ccc2c(c1)Cc1ccccc1-2
InChI Key
NIHNNTQXNPWCJQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
Names and Synonyms
- Fluorene Common Name
- 9H-Fluorene Synonym
- Fluorene Synonym
- o-Biphenylenemethane Synonym
- Diphenylenemethane Synonym
- 2,2′-Methylenebiphenyl Synonym
- Methane, diphenylene- Synonym
- NSC 6787 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.22 g/mol | CAS Common Chemistry |
| 166.22299999999998 g/mol | RDKit | |
| 166.223 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.203 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluorene | CAS Common Chemistry |
| Boiling Point | 295 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)C=3C=CC=CC3C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NIHNNTQXNPWCJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116-117 °C | CAS Common Chemistry |
| Name | Fluorene | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.2578000000000014 | RDKit |
| 3.2578 | RDKit | |
| Molar Refractivity | 54.684000000000026 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 166.07825032 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
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Quick conversion
MW = 166.22 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
