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2,4-Dibromobenzenemethanol
CAS: 666747-06-4 | C7H6Br2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
666747-06-4
Molecular Formula:
C7H6Br2O
Molecular Mass:
265.93 g/mol
Names and Synonyms:
2,4-Dibromobenzenemethanol
Benzenemethanol, 2,4-dibromo-
2,4-Dibromobenzenemethanol
2,4-Dibromobenzyl alcohol
(2,4-Dibromophenyl)methanol
Identifiers:
SMILES:
OCc1ccc(Br)cc1Br
InChI:
InChI=1S/C7H6Br2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
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 | 265.93 g/mol | CAS Common Chemistry |
| 265.932 g/mol | RDKit | |
| 263.878539012 g/mol | RDKit | |
| Canonical SMILES | BrC1=CC=C(C(Br)=C1)CO | CAS Common Chemistry |
| InChI | InChI=1S/C7H6Br2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VXEVXBMLHQPKGA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,4-Dibromobenzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.703900000000001 | RDKit |
| Molar Refractivity | 47.764800000000015 | RDKit |
