4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene
TL;DR: 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene (CAS 13796-06-0) is a chemical compound with molecular formula C9H10ClNO4 and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(dimethoxymethyl)-1-nitrobenzene
Also Known As: 2-nitro-5-chlorobenzaldehyde dimethyl acetal, 4-chloro-2-(dimethoxymethyl)-1-nitrobenzene, 4-chloro-2-dimethoxymethyl-1-nitrobenzene, 4-Chloro-2-dimethoxymethyl-1-nitro-benzene, 5-chloro-2-nitrobenzaldehyde dimethylacetal
| Molecular Formula | C9H10ClNO4 |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | 2.5396 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.02983 |
| Heavy Atoms | 15 |
| Complexity | 365.13 |
Chemical Identifiers
| CAS Number | 13796-06-0 |
|---|---|
| SMILES | COC(C1=C(C=CC(=C1)Cl)[N+](=O)[O-])OC |
Product Overview
4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene (CAS 13796-06-0), with molecular formula C9H10ClNO4 and molecular weight 231.03 g/mol. IUPAC: 4-chloro-2-(dimethoxymethyl)-1-nitrobenzene.
Chemical Property Profile of 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene
Property Insights of 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene
The XLogP value of 2.5396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene. Following Lipinski's Rule of Five, 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene?
The CAS number of 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene is 13796-06-0.
What is the molecular formula of 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene?
The molecular formula of 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene is C9H10ClNO4.
What is the molecular weight of 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene?
The molecular weight of 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene is 231.03 g/mol.
Where can I buy 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene?
You can request a quote for 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.