Back to Search
2-Amino-2′,5-Dichlorobenzophenone
CAS: 2958-36-3 | C13H9Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2958-36-3
Molecular Formula:
C13H9Cl2NO
Molecular Mass:
266.13 g/mol
Names and Synonyms:
2-Amino-2′,5-Dichlorobenzophenone
Methanone, (2-amino-5-chlorophenyl)(2-chlorophenyl)-
Benzophenone, 2-amino-2′,5-dichloro-
(2-Amino-5-chlorophenyl)(2-chlorophenyl)methanone
2-Amino-2′,5-dichlorobenzophenone
2′,5-Dichloro-2-aminobenzophenone
2,5′-Dichloro-2′-aminobenzophenone
2-Amino-5-chloro-2′-chlorobenzophenone
NSC 611905
Identifiers:
SMILES:
Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChI:
InChI=1S/C13H9Cl2NO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
Key Properties
Melting Point
88-89 °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 | 266.13 g/mol | CAS Common Chemistry |
| 266.127 g/mol | RDKit | |
| 265.006119268 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1Cl)C2=CC(Cl)=CC=C2N | CAS Common Chemistry |
| InChI | InChI=1S/C13H9Cl2NO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KWZYIAJRFJVQDO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88-89 °C | CAS Common Chemistry |
| Name | 2-Amino-2′,5-dichlorobenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.09 Ų | RDKit |
| LogP | 3.8066000000000013 | RDKit |
| Molar Refractivity | 70.74890000000002 | RDKit |
