2-Nitro-1-phenylethanone oxime
TL;DR: 2-Nitro-1-phenylethanone oxime (CAS 21205-24-3) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-nitro-1-phenylethylidene)hydroxylamine
Also Known As: nitroacetophenone oxime, 2-Nitro-1-phenylethan-1-one oxime, 2-Nitro-1-phenylethanone oxime, 2-nitro-1-phenyl-ethanone oxime, acetophenone oxime, alpha-nitro-
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 21205-24-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NO)C[N+](=O)[O-] |
| InChIKey | VZXWHAIIKCIOBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-1-phenylethanone oxime (CAS 21205-24-3), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: N-(2-nitro-1-phenylethylidene)hydroxylamine.
Chemical Property Profile of 2-Nitro-1-phenylethanone oxime
Property Insights of 2-Nitro-1-phenylethanone oxime
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-1-phenylethanone oxime. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-1-phenylethanone oxime. Following Lipinski's Rule of Five, 2-Nitro-1-phenylethanone 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-Nitro-1-phenylethanone oxime?
The CAS number of 2-Nitro-1-phenylethanone oxime is 21205-24-3.
What is the molecular formula of 2-Nitro-1-phenylethanone oxime?
The molecular formula of 2-Nitro-1-phenylethanone oxime is C8H8N2O3.
What is the molecular weight of 2-Nitro-1-phenylethanone oxime?
The molecular weight of 2-Nitro-1-phenylethanone oxime is 180.05 g/mol.
Where can I buy 2-Nitro-1-phenylethanone oxime?
You can request a quote for 2-Nitro-1-phenylethanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-1-phenylethanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-1-phenylethanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.