3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-
TL;DR: 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro- (CAS 124420-56-0) is a chemical compound with molecular formula C8H10ClN3O3 and molecular weight 231.04106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1-chloro-2-methylpropan-2-yl)-3-nitro-1H-pyridazin-6-one
Also Known As: 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-, 5-(1-chloro-2-methylpropan-2-yl)-3-nitro-1H-pyridazin-6-one, 4-(1-Chloro-2-methylpropan-2-yl)-6-nitropyridazin-3(2H)-one, 4-(1-chloro-2-methyl-propan-2-yl)-6-nitro-2H-pyridazin-3-one
Technical Specifications
| Molecular Formula | C8H10ClN3O3 |
| Molecular Weight | 231.04106 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.04106 Da |
| Heavy Atoms | 15 |
| Complexity | 368.0 |
| SMILES | CC(C)(CCl)C1=CC(=NNC1=O)[N+](=O)[O-] |
| InChIKey | XSQQVMYJYOUHPS-UHFFFAOYSA-N |
Chemical Property Profile of 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-
Property Insights of 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-. Following Lipinski's Rule of Five, 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro- 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 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-?
The CAS number of 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro- is 124420-56-0.
What is the molecular formula of 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-?
The molecular formula of 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro- is C8H10ClN3O3.
What is the molecular weight of 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-?
The molecular weight of 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro- is 231.04106 g/mol.
Where can I buy 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-?
You can request a quote for 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro-?
Yes, CoreyChem provides custom synthesis services for 3(2H)-Pyridazinone, 4-(2-chloro-1,1-dimethylethyl)-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.