5-Fluoro-2-nitrobenzaldehyde
TL;DR: 5-Fluoro-2-nitrobenzaldehyde (CAS 99725-44-7) is a chemical compound with molecular formula C7H4FNO3 and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-2-nitrobenzaldehyde
Also Known As: 5-Fluoro-2-nitrobenzaldehyde, 5-Fluoro-2-nitrobenzadehyde, 2-nitro-5-fluorobenzaldehyde, Benzaldehyde, 5-fluoro-2-nitro-, TRIADIMENOL
| Molecular Formula | C7H4FNO3 |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01752 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 99725-44-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)C=O)[N+](=O)[O-] |
| InChIKey | KKAFVHUJZPVWND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoro-2-nitrobenzaldehyde (CAS 99725-44-7), with molecular formula C7H4FNO3 and molecular weight 169.02 g/mol. IUPAC: 5-fluoro-2-nitrobenzaldehyde.
Chemical Property Profile of 5-Fluoro-2-nitrobenzaldehyde
Property Insights of 5-Fluoro-2-nitrobenzaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-2-nitrobenzaldehyde. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Fluoro-2-nitrobenzaldehyde. Following Lipinski's Rule of Five, 5-Fluoro-2-nitrobenzaldehyde 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 5-Fluoro-2-nitrobenzaldehyde?
The CAS number of 5-Fluoro-2-nitrobenzaldehyde is 99725-44-7.
What is the molecular formula of 5-Fluoro-2-nitrobenzaldehyde?
The molecular formula of 5-Fluoro-2-nitrobenzaldehyde is C7H4FNO3.
What is the molecular weight of 5-Fluoro-2-nitrobenzaldehyde?
The molecular weight of 5-Fluoro-2-nitrobenzaldehyde is 169.02 g/mol.
Where can I buy 5-Fluoro-2-nitrobenzaldehyde?
You can request a quote for 5-Fluoro-2-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-2-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-2-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.