Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride
TL;DR: Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride (CAS 77234-68-5) is a chemical compound with molecular formula C11H10ClN3O3 and molecular weight 267.04108 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-imidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone chloride
Also Known As: N-((4-Nitrobenzoyl)methyl)imidazole hydrochloride, Acetophenone,2-(1-imidazolyl)-4'-nitro-hcl, ACETOPHENONE, 2-(1-IMIDAZOLYL)-4'-NITRO-, HYDROCHLORIDE, ACETOPHENONE,2-(1-IMIDAZOLYL)-4'-NITRO- HCL, 2-imidazol-1-yl-1-(4-nitrophenyl)ethanone,hydrochloride
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10ClN3O3 |
| Molecular Weight | 267.04108 g/mol |
| XLogP | -2.82 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.04108 Da |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
| SMILES | C1=CC(=CC=C1C(=O)C[NH+]2C=CN=C2)[N+](=O)[O-].[Cl-] |
| InChIKey | UWMYYVKXEQTENE-UHFFFAOYSA-N |
Chemical Property Profile of Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride
Property Insights of Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride
The XLogP value of -2.82 indicates that Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride. Following Lipinski's Rule of Five, Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride?
The CAS number of Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride is 77234-68-5.
What is the molecular formula of Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride?
The molecular formula of Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride is C11H10ClN3O3.
What is the molecular weight of Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride?
The molecular weight of Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride is 267.04108 g/mol.
Where can I buy Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride?
You can request a quote for Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.