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2,4,6-Tribromophenyl Methacrylate
CAS: 37721-71-4 | C10H7Br3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
37721-71-4
Molecular Formula:
C10H7Br3O2
Molecular Mass:
398.88 g/mol
Names and Synonyms:
2,4,6-Tribromophenyl Methacrylate
2-Propenoic acid, 2-methyl-, 2,4,6-tribromophenyl ester
Methacrylic acid, 2,4,6-tribromophenyl ester
2,4,6-Tribromophenyl methacrylate
2,4,6-Tribromophenyl 2-methyl-2-propenoate
Pyroguard SR 804
Identifiers:
SMILES:
C=C(C)C(=O)Oc1c(Br)cc(Br)cc1Br
InChI:
InChI=1S/C10H7Br3O2/c1-5(2)10(14)15-9-7(12)3-6(11)4-8(9)13/h3-4H,1H2,2H3
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 | 398.88 g/mol | CAS Common Chemistry |
| 398.87600000000003 g/mol | RDKit | |
| 395.79961576400007 g/mol | RDKit | |
| Canonical SMILES | O=C(OC=1C(Br)=CC(Br)=CC1Br)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H7Br3O2/c1-5(2)10(14)15-9-7(12)3-6(11)4-8(9)13/h3-4H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HAYWJKBZHDIUPU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,4,6-Tribromophenyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.455600000000001 | RDKit |
| Molar Refractivity | 69.99100000000001 | RDKit |
