3-Nitrobenzaldoxime
TL;DR: 3-Nitrobenzaldoxime (CAS 3717-30-4) is a chemical compound with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-nitrophenyl)methylidene]hydroxylamine
Also Known As: 3-Nitrobenzaldoxime, m-Nitrobenzaldoxime, syn-3-Nitrobenzaldoxime, m-Nitrobenzaldoxim, 3-nitro-benzaldoxime
| Molecular Formula | C7H6N2O3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.03784 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 3717-30-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NO |
| InChIKey | GQMMRLBWXCGBEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrobenzaldoxime (CAS 3717-30-4), with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol. IUPAC: N-[(3-nitrophenyl)methylidene]hydroxylamine.
Chemical Property Profile of 3-Nitrobenzaldoxime
Property Insights of 3-Nitrobenzaldoxime
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzaldoxime. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzaldoxime. Following Lipinski's Rule of Five, 3-Nitrobenzaldoxime 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
Frequently Asked Questions
What is the CAS number of 3-Nitrobenzaldoxime?
The CAS number of 3-Nitrobenzaldoxime is 3717-30-4.
What is the molecular formula of 3-Nitrobenzaldoxime?
The molecular formula of 3-Nitrobenzaldoxime is C7H6N2O3.
What is the molecular weight of 3-Nitrobenzaldoxime?
The molecular weight of 3-Nitrobenzaldoxime is 166.04 g/mol.
Where can I buy 3-Nitrobenzaldoxime?
You can request a quote for 3-Nitrobenzaldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzaldoxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.