Back to Search
7-Bromo-3-Hydroxy-N-(2-Methoxyphenyl)-2-Naphthalenecarboxamide
CAS: 1237-75-8 | C18H14BrNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1237-75-8
Molecular Formula:
C18H14BrNO3
Molecular Mass:
372.22 g/mol
Names and Synonyms:
7-Bromo-3-Hydroxy-N-(2-Methoxyphenyl)-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, 7-bromo-3-hydroxy-N-(2-methoxyphenyl)-
2-Naphth-o-anisidide, 7-bromo-3-hydroxy-
7-Bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide
C.I. 37566
C.I. Azoic Coupling Component 45
Naphthol AS-BI
NSC 367089
Identifiers:
SMILES:
COc1ccccc1N=C(O)c1cc2cc(Br)ccc2cc1O
InChI:
InChI=1S/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22)
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 | 372.22 g/mol | CAS Common Chemistry |
| 372.218 g/mol | RDKit | |
| 371.015705408 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1OC)C=2C=C3C=C(Br)C=CC3=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=JIEINYQEXWLMCU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 7-Bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 62.05 Ų | RDKit |
| LogP | 4.952800000000003 | RDKit |
| Molar Refractivity | 95.13260000000002 | RDKit |
