5-氯-2-硝基苯甲醛
TL;DR: 5-氯-2-硝基苯甲醛 (CAS 6628-86-0) is a chemical compound with molecular formula C7H4ClNO3 and molecular weight 184.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-2-硝基苯甲醛
5-chloro-2-nitrobenzaldehyde
Also Known As: 5-Chloro-2-nitrobenzaldehyde, 2-Nitro-5-chlorobenzaldehyde, Benzaldehyde, 5-chloro-2-nitro-, 5-chloro-2-nitro-benzaldehyde, 3-chloro-6-nitrobenzaldehyde
| Molecular Formula | C7H4ClNO3 |
|---|---|
| Molecular Weight | 184.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.98798 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 6628-86-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C=O)[N+](=O)[O-] |
| InChIKey | SWGPIDCNYAYXMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-2-硝基苯甲醛 (CAS 6628-86-0), with molecular formula C7H4ClNO3 and molecular weight 184.99 g/mol. IUPAC: 5-chloro-2-nitrobenzaldehyde.
Chemical Property Profile of 5-氯-2-硝基苯甲醛
Property Insights of 5-氯-2-硝基苯甲醛
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯-2-硝基苯甲醛. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氯-2-硝基苯甲醛. Following Lipinski's Rule of Five, 5-氯-2-硝基苯甲醛 has 0 hydrogen bond donor(s) and 3 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 5-氯-2-硝基苯甲醛?
The CAS number of 5-氯-2-硝基苯甲醛 is 6628-86-0.
What is the molecular formula of 5-氯-2-硝基苯甲醛?
The molecular formula of 5-氯-2-硝基苯甲醛 is C7H4ClNO3.
What is the molecular weight of 5-氯-2-硝基苯甲醛?
The molecular weight of 5-氯-2-硝基苯甲醛 is 184.99 g/mol.
Where can I buy 5-氯-2-硝基苯甲醛?
You can request a quote for 5-氯-2-硝基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-2-硝基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-2-硝基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.