![3-[(3-Nitrobenzoyl)oxy]benzonitrile structure](/static/products/902/902094-94-4.png)
3-[(3-Nitrobenzoyl)oxy]benzonitrile
TL;DR: 3-[(3-Nitrobenzoyl)oxy]benzonitrile (CAS 902094-94-4) is a chemical compound with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyanophenyl) 3-nitrobenzoate
Also Known As: 3-Cyanophenyl 3-nitrobenzoate, (3-cyanophenyl) 3-nitrobenzoate, 3-[(3-Nitrobenzoyl)oxy]benzonitrile
| Molecular Formula | C14H8N2O4 |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 2.68568 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0484 |
| Heavy Atoms | 20 |
| Complexity | 719.109 |
Chemical Identifiers
| CAS Number | 902094-94-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C#N |
Product Overview
3-[(3-Nitrobenzoyl)oxy]benzonitrile (CAS 902094-94-4), with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol. IUPAC: (3-cyanophenyl) 3-nitrobenzoate.
Chemical Property Profile of 3-[(3-Nitrobenzoyl)oxy]benzonitrile
Property Insights of 3-[(3-Nitrobenzoyl)oxy]benzonitrile
The XLogP value of 2.68568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Nitrobenzoyl)oxy]benzonitrile. The TPSA of 93.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Nitrobenzoyl)oxy]benzonitrile. Following Lipinski's Rule of Five, 3-[(3-Nitrobenzoyl)oxy]benzonitrile 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 3-[(3-Nitrobenzoyl)oxy]benzonitrile?
The CAS number of 3-[(3-Nitrobenzoyl)oxy]benzonitrile is 902094-94-4.
What is the molecular formula of 3-[(3-Nitrobenzoyl)oxy]benzonitrile?
The molecular formula of 3-[(3-Nitrobenzoyl)oxy]benzonitrile is C14H8N2O4.
What is the molecular weight of 3-[(3-Nitrobenzoyl)oxy]benzonitrile?
The molecular weight of 3-[(3-Nitrobenzoyl)oxy]benzonitrile is 268.05 g/mol.
Where can I buy 3-[(3-Nitrobenzoyl)oxy]benzonitrile?
You can request a quote for 3-[(3-Nitrobenzoyl)oxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Nitrobenzoyl)oxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Nitrobenzoyl)oxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.