alpha-Chloro-4-nitrobenzaldoxime
TL;DR: alpha-Chloro-4-nitrobenzaldoxime (CAS 58402-81-6) is a chemical compound with molecular formula C7H5ClN2O3 and molecular weight 200.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hydroxy-4-nitrobenzenecarboximidoyl chloride
Also Known As: alpha-Chloro-4-nitrobenzaldoxime, N-Hydroxy-4-nitrobenzimidoyl chloride, N-hydroxy-4-nitro-benzimidoyl chloride, N-hydroxy-4-nitrobenzenecarboximidoyl chloride, Benzohydroximoyl chloride, p-nitro-
| Molecular Formula | C7H5ClN2O3 |
|---|---|
| Molecular Weight | 200.00 g/mol |
| LogP | 1.9694 |
| Topological Polar Surface Area | 75.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.99887 |
| Heavy Atoms | 13 |
| Complexity | 347.26022 |
Chemical Identifiers
| CAS Number | 58402-81-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=NO)Cl)[N+](=O)[O-] |
Product Overview
alpha-Chloro-4-nitrobenzaldoxime (CAS 58402-81-6), with molecular formula C7H5ClN2O3 and molecular weight 200.00 g/mol. IUPAC: N-hydroxy-4-nitrobenzenecarboximidoyl chloride.
Chemical Property Profile of alpha-Chloro-4-nitrobenzaldoxime
Property Insights of alpha-Chloro-4-nitrobenzaldoxime
The XLogP value of 1.9694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Chloro-4-nitrobenzaldoxime. The TPSA of 75.73 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Chloro-4-nitrobenzaldoxime. Following Lipinski's Rule of Five, alpha-Chloro-4-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 alpha-Chloro-4-nitrobenzaldoxime?
The CAS number of alpha-Chloro-4-nitrobenzaldoxime is 58402-81-6.
What is the molecular formula of alpha-Chloro-4-nitrobenzaldoxime?
The molecular formula of alpha-Chloro-4-nitrobenzaldoxime is C7H5ClN2O3.
What is the molecular weight of alpha-Chloro-4-nitrobenzaldoxime?
The molecular weight of alpha-Chloro-4-nitrobenzaldoxime is 200.00 g/mol.
Where can I buy alpha-Chloro-4-nitrobenzaldoxime?
You can request a quote for alpha-Chloro-4-nitrobenzaldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Chloro-4-nitrobenzaldoxime?
Yes, KEHONG BIO provides custom synthesis services for alpha-Chloro-4-nitrobenzaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.