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Molecule
2-Amino-5-Chlorobenzophenone
CAS: 719-59-5 · C13H10ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 719-59-5
- Molecular Formula
- C13H10ClNO
- Molecular Mass
- 231.68 g/mol
Identifiers
CAS Registry Number
719-59-5
SMILES
Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChI Key
ZUWXHHBROGLWNH-UHFFFAOYSA-N
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
Names and Synonyms
- 2-Amino-5-Chlorobenzophenone Synonym
- Methanone, (2-amino-5-chlorophenyl)phenyl- Synonym
- Benzophenone, 2-amino-5-chloro- Synonym
- (2-Amino-5-chlorophenyl)phenylmethanone Synonym
- 2-Amino-5-chlorobenzophenone Synonym
- 5-Chloro-2-aminobenzophenone Synonym
- 2-Benzoyl-4-chloroaniline Synonym
- 2-Amino-5-chlorbenzophenone Synonym
- 2-Amino-5-chlorobenzylphenone Synonym
- Oxazepam benzophenone Synonym
- NSC 84157 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.68 g/mol | CAS Common Chemistry |
| 231.68200000000002 g/mol | RDKit | |
| 231.682 g/mol | RDKit | |
| 231.679 g/mol | chempirical lib | |
| 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 |
| 3.1532 | RDKit | |
| Molar Refractivity | 65.73890000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 231.04509162 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 231.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10ClNO.
