3-硝基苯甲醛
TL;DR: 3-硝基苯甲醛 (CAS 99-61-6) is a chemical compound with molecular formula C7H5NO3 and molecular weight 151.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基苯甲醛
3-nitrobenzaldehyde
Also Known As: 3-NITROBENZALDEHYDE, m-Nitrobenzaldehyde, Benzaldehyde, 3-nitro-, meta-nitrobenzaldehyde, 3-Formylnitrobenzene
| Molecular Formula | C7H5NO3 |
|---|---|
| Molecular Weight | 151.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.02695 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 99-61-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=O |
| InChIKey | ZETIVVHRRQLWFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基苯甲醛 (CAS 99-61-6), with molecular formula C7H5NO3 and molecular weight 151.03 g/mol. IUPAC: 3-nitrobenzaldehyde.
Chemical Property Profile of 3-硝基苯甲醛
Property Insights of 3-硝基苯甲醛
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基苯甲醛. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基苯甲醛. Following Lipinski's Rule of Five, 3-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 3-硝基苯甲醛?
The CAS number of 3-硝基苯甲醛 is 99-61-6.
What is the molecular formula of 3-硝基苯甲醛?
The molecular formula of 3-硝基苯甲醛 is C7H5NO3.
What is the molecular weight of 3-硝基苯甲醛?
The molecular weight of 3-硝基苯甲醛 is 151.03 g/mol.
Where can I buy 3-硝基苯甲醛?
You can request a quote for 3-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 3-硝基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.