3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde
TL;DR: 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde (CAS 109069-74-1) is a chemical compound with molecular formula C9H8ClNO4 and molecular weight 229.01419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-hydroxy-4,6-dimethyl-3-nitrobenzaldehyde
Also Known As: 3-chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde, 5-chloro-2-hydroxy-4,6-dimethyl-3-nitrobenzaldehyde, 5-chloro-2-hydroxy-4,6-dimethyl-3-nitro-benzaldehyde
Technical Specifications
| Molecular Formula | C9H8ClNO4 |
| Molecular Weight | 229.01419 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.01419 Da |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
| SMILES | CC1=C(C(=C(C(=C1Cl)C)[N+](=O)[O-])O)C=O |
| InChIKey | QVMMXFNTUWSWHN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde
Property Insights of 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde 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-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde?
The CAS number of 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde is 109069-74-1.
What is the molecular formula of 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde?
The molecular formula of 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde is C9H8ClNO4.
What is the molecular weight of 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde?
The molecular weight of 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde is 229.01419 g/mol.
Where can I buy 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde?
You can request a quote for 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-6-hydroxy-2,4-dimethyl-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.