2'-Nitroacetanilide
TL;DR: 2'-Nitroacetanilide (CAS 552-32-9) 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-nitrophenyl)acetamide
Also Known As: N-(2-Nitrophenyl)acetamide, 2'-NITROACETANILIDE, o-Nitroacetanilide, 2-Nitroacetanilide, Acetanilide, 2'-nitro-
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 552-32-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | BUNFNRVLMKHKIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Nitroacetanilide (CAS 552-32-9), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: N-(2-nitrophenyl)acetamide.
Chemical Property Profile of 2'-Nitroacetanilide
Property Insights of 2'-Nitroacetanilide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Nitroacetanilide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Nitroacetanilide. Following Lipinski's Rule of Five, 2'-Nitroacetanilide has 1 hydrogen bond donor(s) and 3 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'-Nitroacetanilide?
The CAS number of 2'-Nitroacetanilide is 552-32-9.
What is the molecular formula of 2'-Nitroacetanilide?
The molecular formula of 2'-Nitroacetanilide is C8H8N2O3.
What is the molecular weight of 2'-Nitroacetanilide?
The molecular weight of 2'-Nitroacetanilide is 180.05 g/mol.
Where can I buy 2'-Nitroacetanilide?
You can request a quote for 2'-Nitroacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Nitroacetanilide?
Yes, KEHONG BIO provides custom synthesis services for 2'-Nitroacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.