Back to Search
Molecule
5-Bromo-2-Hydroxybenzamide
CAS: 6329-74-4 · C7H6BrNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6329-74-4
- Molecular Formula
- C7H6BrNO2
- Molecular Mass
- 216.03 g/mol
Identifiers
CAS Registry Number
6329-74-4
SMILES
N=C(O)c1cc(Br)ccc1O
InChI Key
MRMOPHYFXXZTFN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)
Names and Synonyms
- 5-Bromo-2-Hydroxybenzamide Systematic Name
- Benzamide, 5-bromo-2-hydroxy- Synonym
- Salicylamide, 5-bromo- Synonym
- 5-Bromo-2-hydroxybenzamide Synonym
- 5-Bromosalicylamide Synonym
- NSC 14278 Synonym
- 2-Hydroxy-5-bromobenzamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.03 g/mol | CAS Common Chemistry |
| 216.034 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=CC(Br)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C7H6BrNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=MRMOPHYFXXZTFN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 233-238 °C | CAS Common Chemistry |
| Name | 5-Bromo-2-hydroxybenzamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 64.31 Ų | RDKit |
| LogP | 2.0380700000000007 | RDKit |
| 2.0381 | RDKit | |
| Molar Refractivity | 45.264300000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 214.958190532 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 = 216.03 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6BrNO2.
