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2,7-Dibromo-9,9-Dimethylfluorene
CAS: 28320-32-3 | C15H12Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
28320-32-3
Molecular Formula:
C15H12Br2
Molecular Mass:
352.07 g/mol
Names and Synonyms:
2,7-Dibromo-9,9-Dimethylfluorene
9H-Fluorene, 2,7-dibromo-9,9-dimethyl-
Fluorene, 2,7-dibromo-9,9-dimethyl-
2,7-Dibromo-9,9-dimethyl-9H-fluorene
2,7-Dibromo-9,9-dimethylfluorene
2,7-Dibromo-9,9′-dimethyl-9H-fluorene
Identifiers:
SMILES:
CC1(C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChI:
InChI=1S/C15H12Br2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
Key Properties
Melting Point
170-172 °C
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 | 352.07 g/mol | CAS Common Chemistry |
| 352.069 g/mol | RDKit | |
| 349.930574584 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=CC=2C3=CC=C(Br)C=C3C(C2C1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H12Br2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LONBOJIXBFUBKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170-172 °C | CAS Common Chemistry |
| Name | 2,7-Dibromo-9,9-dimethylfluorene | 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 | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.517900000000003 | RDKit |
| Molar Refractivity | 79.40600000000002 | RDKit |
