Back to Search
2-Amino-5-Nitro-2′-Chlorobenzophenone
CAS: 2011-66-7 | C13H9ClN2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2011-66-7
Molecular Formula:
C13H9ClN2O3
Molecular Mass:
276.68 g/mol
Names and Synonyms:
2-Amino-5-Nitro-2′-Chlorobenzophenone
Methanone, (2-amino-5-nitrophenyl)(2-chlorophenyl)-
Benzophenone, 2-amino-2′-chloro-5-nitro-
(2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone
2-Amino-2′-chloro-5-nitrobenzophenone
2-Amino-5-nitro-2′-chlorobenzophenone
Identifiers:
SMILES:
Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl
InChI:
InChI=1S/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2
Key Properties
Melting Point
118-120 °C
CAS Common Chemistry
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 | 276.68 g/mol | CAS Common Chemistry |
| 276.679 g/mol | RDKit | |
| 276.030169828 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1Cl)C2=CC(=CC=C2N)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GRDGBWVSVMLKBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-120 °C | CAS Common Chemistry |
| Name | 2-Amino-5-nitro-2′-chlorobenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.22999999999999 Ų | RDKit |
| LogP | 3.0614000000000017 | RDKit |
| Molar Refractivity | 72.39330000000002 | RDKit |
