2-Nitrobenzaldehyde oxime
TL;DR: 2-Nitrobenzaldehyde oxime (CAS 3717-25-7) 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.
(NE)-N-[(2-nitrophenyl)methylidene]hydroxylamine
Also Known As: 2-Nitrobenzaldoxime, 2-Nitrobenzaldehyde oxime, o-Nitrobenzaldoxime, (E)-2-nitrobenzaldehyde oxime, syn-O-Nitrobenzaldoxime
| Molecular Formula | C7H6N2O3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 1.4029 |
| Topological Polar Surface Area | 75.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.03784 |
| Heavy Atoms | 12 |
| Complexity | 322.18246 |
Chemical Identifiers
| CAS Number | 3717-25-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/O)[N+](=O)[O-] |
Product Overview
2-Nitrobenzaldehyde oxime (CAS 3717-25-7), with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol. IUPAC: (NE)-N-[(2-nitrophenyl)methylidene]hydroxylamine.
Chemical Property Profile of 2-Nitrobenzaldehyde oxime
Property Insights of 2-Nitrobenzaldehyde oxime
The XLogP value of 1.4029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzaldehyde oxime. The TPSA of 75.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzaldehyde oxime. Following Lipinski's Rule of Five, 2-Nitrobenzaldehyde oxime 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 2-Nitrobenzaldehyde oxime?
The CAS number of 2-Nitrobenzaldehyde oxime is 3717-25-7.
What is the molecular formula of 2-Nitrobenzaldehyde oxime?
The molecular formula of 2-Nitrobenzaldehyde oxime is C7H6N2O3.
What is the molecular weight of 2-Nitrobenzaldehyde oxime?
The molecular weight of 2-Nitrobenzaldehyde oxime is 166.04 g/mol.
Where can I buy 2-Nitrobenzaldehyde oxime?
You can request a quote for 2-Nitrobenzaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobenzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.