Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-
TL;DR: Ethanone, 1-(3-nitrophenyl)-, oxime, (E)- (CAS 7471-32-1) 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-[1-(3-nitrophenyl)ethylidene]hydroxylamine
Also Known As: m-nitroacetophenone oxime, Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-, 1-(3-Nitrophenyl)-1-ethanone oxime, (E)-1-(3-Nitrophenyl)ethanone oxime, 1-(3-NITROPHENYL)ETHANONE OXIME
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 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 | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 7471-32-1 |
|---|---|
| SMILES | CC(=NO)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | PDRKZXUNOXCETR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(3-nitrophenyl)-, oxime, (E)- (CAS 7471-32-1), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: N-[1-(3-nitrophenyl)ethylidene]hydroxylamine.
Chemical Property Profile of Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-
Property Insights of Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-. Following Lipinski's Rule of Five, Ethanone, 1-(3-nitrophenyl)-, oxime, (E)- 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 Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-?
The CAS number of Ethanone, 1-(3-nitrophenyl)-, oxime, (E)- is 7471-32-1.
What is the molecular formula of Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-?
The molecular formula of Ethanone, 1-(3-nitrophenyl)-, oxime, (E)- is C8H8N2O3.
What is the molecular weight of Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-?
The molecular weight of Ethanone, 1-(3-nitrophenyl)-, oxime, (E)- is 180.05 g/mol.
Where can I buy Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-?
You can request a quote for Ethanone, 1-(3-nitrophenyl)-, oxime, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(3-nitrophenyl)-, oxime, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.