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1,2-Dibromo-4,5-Difluorobenzene
CAS: 64695-78-9 | C6H2Br2F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64695-78-9
Molecular Formula:
C6H2Br2F2
Molecular Mass:
271.89 g/mol
Names and Synonyms:
1,2-Dibromo-4,5-Difluorobenzene
Benzene, 1,2-dibromo-4,5-difluoro-
1,2-Dibromo-4,5-difluorobenzene
1,2-Difluoro-4,5-dibromobenzene
NSC 10239
Identifiers:
SMILES:
Fc1cc(Br)c(Br)cc1F
InChI:
InChI=1S/C6H2Br2F2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
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 | 271.89 g/mol | CAS Common Chemistry |
| 271.88599999999997 g/mol | RDKit | |
| 269.849130704 g/mol | RDKit | |
| Canonical SMILES | FC=1C=C(Br)C(Br)=CC1F | CAS Common Chemistry |
| InChI | InChI=1S/C6H2Br2F2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=JTEZQWOKRHOKDG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Dibromo-4,5-difluorobenzene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.4898000000000007 | RDKit |
| Molar Refractivity | 41.757999999999996 | RDKit |
