4-Chloro-5-imidazol-1-yl-2-nitroaniline
TL;DR: 4-Chloro-5-imidazol-1-yl-2-nitroaniline (CAS 131885-47-7) is a chemical compound with molecular formula C9H7ClN4O2 and molecular weight 238.02576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-5-imidazol-1-yl-2-nitroaniline
Also Known As: 4-chloro-5-(imidazol-1-yl)-2-nitroaniline, 4-chloro-5-imidazol-1-yl-2-nitro-aniline
Technical Specifications
| Molecular Formula | C9H7ClN4O2 |
| Molecular Weight | 238.02576 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.02576 Da |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
| SMILES | C1=CN(C=N1)C2=C(C=C(C(=C2)N)[N+](=O)[O-])Cl |
| InChIKey | YBTDCZJTADNAJB-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-5-imidazol-1-yl-2-nitroaniline
Property Insights of 4-Chloro-5-imidazol-1-yl-2-nitroaniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-5-imidazol-1-yl-2-nitroaniline. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-5-imidazol-1-yl-2-nitroaniline. Following Lipinski's Rule of Five, 4-Chloro-5-imidazol-1-yl-2-nitroaniline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-5-imidazol-1-yl-2-nitroaniline?
The CAS number of 4-Chloro-5-imidazol-1-yl-2-nitroaniline is 131885-47-7.
What is the molecular formula of 4-Chloro-5-imidazol-1-yl-2-nitroaniline?
The molecular formula of 4-Chloro-5-imidazol-1-yl-2-nitroaniline is C9H7ClN4O2.
What is the molecular weight of 4-Chloro-5-imidazol-1-yl-2-nitroaniline?
The molecular weight of 4-Chloro-5-imidazol-1-yl-2-nitroaniline is 238.02576 g/mol.
Where can I buy 4-Chloro-5-imidazol-1-yl-2-nitroaniline?
You can request a quote for 4-Chloro-5-imidazol-1-yl-2-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-5-imidazol-1-yl-2-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-5-imidazol-1-yl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.