Back to Search
Molecule
Bromoacetanilide
CAS: 103-88-8 · C8H8BrNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 103-88-8
- Molecular Formula
- C8H8BrNO
- Molecular Mass
- 214.06 g/mol
Identifiers
CAS Registry Number
103-88-8
SMILES
CC(O)=Nc1ccc(Br)cc1
InChI Key
MSLICLMCQYQNPK-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
Names and Synonyms
- Bromoacetanilide Synonym
- Acetamide, N-(4-bromophenyl)- Synonym
- Acetanilide, 4′-bromo- Synonym
- Acetanilide, p-bromo- Synonym
- N-(4-Bromophenyl)acetamide Synonym
- Antisepsin Synonym
- Asepsin Synonym
- p-Bromoacetanilide Synonym
- p-Bromo-N-acetanilide Synonym
- Bromoantifebrin Synonym
- 1-Bromo-4-acetamidobenzene Synonym
- 4′-Bromoacetanilide Synonym
- N-Acetyl-p-bromoaniline Synonym
- N-(p-Bromophenyl)acetamide Synonym
- 1-(N-Acetylamino)-4-bromobenzene Synonym
- N-Acetyl-4-bromoaniline Synonym
- Monobromoacetanilide Synonym
- Bromoacetanilide Synonym
- NSC 105442 Synonym
- NSC 8048 Synonym
- 4-Acetamido-1-bromobenzene Synonym
- 4-(Acetylamino)-1-bromobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.06 g/mol | CAS Common Chemistry |
| 214.06199999999998 g/mol | RDKit | |
| 214.062 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(Br)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=MSLICLMCQYQNPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | Bromoacetanilide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.0570000000000013 | RDKit |
| 3.057 | RDKit | |
| Molar Refractivity | 49.53980000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 212.978925976 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 = 214.06 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8BrNO.
