alpha-Chloro-3-nitrobenzaldoxime
TL;DR: alpha-Chloro-3-nitrobenzaldoxime (CAS 1100844-81-2) is a chemical compound with molecular formula C7H5ClN2O3 and molecular weight 199.99887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-hydroxy-3-nitrobenzenecarboximidoyl chloride
Also Known As: alpha-Chloro-3-nitrobenzaldoxime, a-Chloro-3-nitrobenzaldoxime, 3-nitro-benzohydroximoyl chloride, ?alpha-Chloro-3-nitrobenzaldoxime, N-hydroxy-3-nitro-benzimidoyl chloride
Technical Specifications
| Molecular Formula | C7H5ClN2O3 |
| Molecular Weight | 199.99887 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.99887 Da |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=NO)Cl |
| InChIKey | LSAGTJSJWCRWAZ-UHFFFAOYSA-N |
Chemical Property Profile of alpha-Chloro-3-nitrobenzaldoxime
Property Insights of alpha-Chloro-3-nitrobenzaldoxime
The XLogP value of 3.1 indicates that alpha-Chloro-3-nitrobenzaldoxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Chloro-3-nitrobenzaldoxime. Following Lipinski's Rule of Five, alpha-Chloro-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
What is the CAS number of alpha-Chloro-3-nitrobenzaldoxime?
The CAS number of alpha-Chloro-3-nitrobenzaldoxime is 1100844-81-2.
What is the molecular formula of alpha-Chloro-3-nitrobenzaldoxime?
The molecular formula of alpha-Chloro-3-nitrobenzaldoxime is C7H5ClN2O3.
What is the molecular weight of alpha-Chloro-3-nitrobenzaldoxime?
The molecular weight of alpha-Chloro-3-nitrobenzaldoxime is 199.99887 g/mol.
Where can I buy alpha-Chloro-3-nitrobenzaldoxime?
You can request a quote for alpha-Chloro-3-nitrobenzaldoxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Chloro-3-nitrobenzaldoxime?
Yes, CoreyChem provides custom synthesis services for alpha-Chloro-3-nitrobenzaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.