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2-Bromo-7-Iodo-9H-Fluorene
CAS: 123348-27-6 | C13H8BrI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123348-27-6
Molecular Formula:
C13H8BrI
Molecular Mass:
371.02 g/mol
Names and Synonyms:
2-Bromo-7-Iodo-9H-Fluorene
9H-Fluorene, 2-bromo-7-iodo-
2-Bromo-7-iodo-9H-fluorene
2-Bromo-7-iodofluorene
2-Bromo-7-iodo-9H-fluoren
Identifiers:
SMILES:
Brc1ccc2c(c1)Cc1cc(I)ccc1-2
InChI:
InChI=1S/C13H8BrI/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2
Key Properties
Melting Point
160.5 °C @ Solvent: Acetic acid
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 | 371.02 g/mol | CAS Common Chemistry |
| 371.015 g/mol | RDKit | |
| 369.88541035599997 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=CC=2C3=CC=C(I)C=C3CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H8BrI/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GWUPMAMGLLLLHO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160.5 °C @ Solvent: Acetic acid | CAS Common Chemistry |
| Name | 2-Bromo-7-iodo-9H-fluorene | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 4.624900000000002 | RDKit |
| Molar Refractivity | 75.10100000000001 | RDKit |
