Back to Search
Molecule
2-Bromo-1,2-Diphenylethanone
CAS: 1484-50-0 · C14H11BrO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1484-50-0
- Molecular Formula
- C14H11BrO
- Molecular Mass
- 275.15 g/mol
Identifiers
CAS Registry Number
1484-50-0
SMILES
O=C(c1ccccc1)C(Br)c1ccccc1
InChI Key
ZFFBIQMNKOJDJE-UHFFFAOYSA-N
InChI
InChI=1S/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
Names and Synonyms
- 2-Bromo-1,2-Diphenylethanone Systematic Name
- Ethanone, 2-bromo-1,2-diphenyl- Synonym
- Acetophenone, 2-bromo-2-phenyl- Synonym
- 2-Bromo-1,2-diphenylethanone Synonym
- 2-Bromo-2-phenylacetophenone Synonym
- Desyl bromide Synonym
- α-Bromodeoxybenzoin Synonym
- α-Bromobenzyl phenyl ketone Synonym
- α-Bromo-α-phenylacetophenone Synonym
- α-Phenylphenacyl bromide Synonym
- 1-Bromo-1,2-diphenyl-2-ethanone Synonym
- 2-Bromo-1,2-diphenylethan-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.15 g/mol | CAS Common Chemistry |
| 275.145 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C(Br)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H | CAS Common Chemistry |
| InChI Key | InChIKey=ZFFBIQMNKOJDJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63 °C | CAS Common Chemistry |
| Name | 2-Bromo-1,2-diphenylethanone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 4.005500000000003 | RDKit |
| 4.0055 | RDKit | |
| Molar Refractivity | 68.88250000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 273.999327072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 275.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H11BrO.
