![Acetonitrile, [(4-nitrobenzoyl)oxy]- structure](/static/products/949/949-04-2.png)
Acetonitrile, [(4-nitrobenzoyl)oxy]-
TL;DR: Acetonitrile, [(4-nitrobenzoyl)oxy]- (CAS 949-04-2) is a chemical compound with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 4-nitrobenzoate
Also Known As: cyanomethyl 4-nitrobenzoate, Acetonitrile, [(4-nitrobenzoyl)oxy]-, Acetonitrile,[(4-nitrobenzoyl)oxy]
| Molecular Formula | C9H6N2O4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 1.27518 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.03276 |
| Heavy Atoms | 15 |
| Complexity | 418.73364 |
Chemical Identifiers
| CAS Number | 949-04-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC#N)[N+](=O)[O-] |
Product Overview
Acetonitrile, [(4-nitrobenzoyl)oxy]- (CAS 949-04-2), with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol. IUPAC: cyanomethyl 4-nitrobenzoate.
Chemical Property Profile of Acetonitrile, [(4-nitrobenzoyl)oxy]-
Property Insights of Acetonitrile, [(4-nitrobenzoyl)oxy]-
The XLogP value of 1.27518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, [(4-nitrobenzoyl)oxy]-. The TPSA of 93.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile, [(4-nitrobenzoyl)oxy]-. Following Lipinski's Rule of Five, Acetonitrile, [(4-nitrobenzoyl)oxy]- has 0 hydrogen bond donor(s) and 5 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 Acetonitrile, [(4-nitrobenzoyl)oxy]-?
The CAS number of Acetonitrile, [(4-nitrobenzoyl)oxy]- is 949-04-2.
What is the molecular formula of Acetonitrile, [(4-nitrobenzoyl)oxy]-?
The molecular formula of Acetonitrile, [(4-nitrobenzoyl)oxy]- is C9H6N2O4.
What is the molecular weight of Acetonitrile, [(4-nitrobenzoyl)oxy]-?
The molecular weight of Acetonitrile, [(4-nitrobenzoyl)oxy]- is 206.03 g/mol.
Where can I buy Acetonitrile, [(4-nitrobenzoyl)oxy]-?
You can request a quote for Acetonitrile, [(4-nitrobenzoyl)oxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, [(4-nitrobenzoyl)oxy]-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, [(4-nitrobenzoyl)oxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.