Benzenemethanol, 4-nitro-, 1-acetate
TL;DR: Benzenemethanol, 4-nitro-, 1-acetate (CAS 619-90-9) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl acetate
Also Known As: 4-Nitrobenzyl acetate, p-Nitrobenzyl acetate, p-Nitrobenzylacetate, Acetic Acid 4-Nitrobenzyl Ester, (4-nitrophenyl)methyl acetate
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 619-90-9 |
|---|---|
| SMILES | CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QNXQLPUEZYZYFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanol, 4-nitro-, 1-acetate (CAS 619-90-9), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: (4-nitrophenyl)methyl acetate.
Chemical Property Profile of Benzenemethanol, 4-nitro-, 1-acetate
Property Insights of Benzenemethanol, 4-nitro-, 1-acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 4-nitro-, 1-acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol, 4-nitro-, 1-acetate. Following Lipinski's Rule of Five, Benzenemethanol, 4-nitro-, 1-acetate has 0 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 Benzenemethanol, 4-nitro-, 1-acetate?
The CAS number of Benzenemethanol, 4-nitro-, 1-acetate is 619-90-9.
What is the molecular formula of Benzenemethanol, 4-nitro-, 1-acetate?
The molecular formula of Benzenemethanol, 4-nitro-, 1-acetate is C9H9NO4.
What is the molecular weight of Benzenemethanol, 4-nitro-, 1-acetate?
The molecular weight of Benzenemethanol, 4-nitro-, 1-acetate is 195.05 g/mol.
Where can I buy Benzenemethanol, 4-nitro-, 1-acetate?
You can request a quote for Benzenemethanol, 4-nitro-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 4-nitro-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 4-nitro-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.