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2-Methoxy-5-Nitrobenzenediazonium
CAS: 27165-17-9 | C7H6N3O3+
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27165-17-9
Molecular Formula:
C7H6N3O3+
Molecular Mass:
180.14 g/mol
Names and Synonyms:
2-Methoxy-5-Nitrobenzenediazonium
Benzenediazonium, 2-methoxy-5-nitro-
2-Methoxy-5-nitrobenzenediazonium
Diazol Scarlet K
C.I. Azoic Diazo Component 13
Daito Scarlet Base RC
Fast Scarlet RC Base
Diazo Fast Scarlet R
Azoic Diazo Component 13
Diazo Fast Scarlet RH
Fast Scarlet R Salt
Fast Scarlet R Base
Adisol Fast Scarlet Salt R
Conazioc Diazo AC
Fast Garnet RC Base
Azoene Fast Scarlet R Salt
Scarlet DC
Scarlet RC Base
Dycosbase Scarlet RC Base
Fast Scarlet RC Salt
Fast Scarlet Base HNA
Icho Salt Scarlet R
Cosmosol Fast Scarlet R Salt
Identifiers:
SMILES:
COc1ccc([N+](=O)[O-])cc1[N+]#N
InChI:
InChI=1S/C7H6N3O3/c1-13-7-3-2-5(10(11)12)4-6(7)9-8/h2-4H,1H3/q+1
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 | 180.14 g/mol | CAS Common Chemistry |
| 180.143 g/mol | RDKit | |
| 180.04036747209 g/mol | RDKit | |
| Canonical SMILES | N#[N+]C1=CC(=CC=C1OC)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C7H6N3O3/c1-13-7-3-2-5(10(11)12)4-6(7)9-8/h2-4H,1H3/q+1 | CAS Common Chemistry |
| InChI Key | InChIKey=BUADGGPZZZMHBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methoxy-5-nitrobenzenediazonium | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 80.52000000000001 Ų | RDKit |
| LogP | 2.08798 | RDKit |
| Molar Refractivity | 44.39240000000002 | RDKit |
