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2-Amino-5-Chlorobenzophenone
CAS: 719-59-5 | C13H10ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
719-59-5
Molecular Formula:
C13H10ClNO
Molecular Mass:
231.68 g/mol
Names and Synonyms:
2-Amino-5-Chlorobenzophenone
Methanone, (2-amino-5-chlorophenyl)phenyl-
Benzophenone, 2-amino-5-chloro-
(2-Amino-5-chlorophenyl)phenylmethanone
2-Amino-5-chlorobenzophenone
5-Chloro-2-aminobenzophenone
2-Benzoyl-4-chloroaniline
2-Amino-5-chlorbenzophenone
2-Amino-5-chlorobenzylphenone
Oxazepam benzophenone
NSC 84157
Identifiers:
SMILES:
Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChI:
InChI=1S/C13H10ClNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2
Key Properties
Melting Point
99 °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 | 231.68 g/mol | CAS Common Chemistry |
| 231.68200000000002 g/mol | RDKit | |
| 231.04509162 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC(Cl)=CC=C2N | CAS Common Chemistry |
| InChI | InChI=1S/C13H10ClNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZUWXHHBROGLWNH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 99 °C | CAS Common Chemistry |
| Name | 2-Amino-5-chlorobenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 3.153200000000001 | RDKit |
| Molar Refractivity | 65.73890000000002 | RDKit |
