Benzonitrile, 4-hydroxy-3,5-dinitro-
TL;DR: Benzonitrile, 4-hydroxy-3,5-dinitro- (CAS 2315-80-2) is a chemical compound with molecular formula C7H3N3O5 and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3,5-dinitrobenzonitrile
Also Known As: 4-Hydroxy-3,5-dinitrobenzonitrile, Benzonitrile, 4-hydroxy-3,5-dinitro-, 2,7-difluoro-9h-fluoren-4-amine, 3,5-Dinitro-4-hydroxybenzonitrile, 3,5-dinitro-4-hydroxy benzonitrile
| Molecular Formula | C7H3N3O5 |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 1.08028 |
| Topological Polar Surface Area | 130.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.00726 |
| Heavy Atoms | 15 |
| Complexity | 454.8844 |
Chemical Identifiers
| CAS Number | 2315-80-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C#N |
Product Overview
Benzonitrile, 4-hydroxy-3,5-dinitro- (CAS 2315-80-2), with molecular formula C7H3N3O5 and molecular weight 209.01 g/mol. IUPAC: 4-hydroxy-3,5-dinitrobenzonitrile.
Chemical Property Profile of Benzonitrile, 4-hydroxy-3,5-dinitro-
Property Insights of Benzonitrile, 4-hydroxy-3,5-dinitro-
The XLogP value of 1.08028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-hydroxy-3,5-dinitro-. The TPSA of 130.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-hydroxy-3,5-dinitro-. Following Lipinski's Rule of Five, Benzonitrile, 4-hydroxy-3,5-dinitro- has 1 hydrogen bond donor(s) and 6 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 Benzonitrile, 4-hydroxy-3,5-dinitro-?
The CAS number of Benzonitrile, 4-hydroxy-3,5-dinitro- is 2315-80-2.
What is the molecular formula of Benzonitrile, 4-hydroxy-3,5-dinitro-?
The molecular formula of Benzonitrile, 4-hydroxy-3,5-dinitro- is C7H3N3O5.
What is the molecular weight of Benzonitrile, 4-hydroxy-3,5-dinitro-?
The molecular weight of Benzonitrile, 4-hydroxy-3,5-dinitro- is 209.01 g/mol.
Where can I buy Benzonitrile, 4-hydroxy-3,5-dinitro-?
You can request a quote for Benzonitrile, 4-hydroxy-3,5-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-hydroxy-3,5-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-hydroxy-3,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.