Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-
TL;DR: Benzonitrile, 2-(2-chlorophenoxy)-5-nitro- (CAS 99902-77-9) is a chemical compound with molecular formula C13H7ClN2O3 and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenoxy)-5-nitrobenzonitrile
Also Known As: 2-(2-chlorophenoxy)-5-nitrobenzonitrile, Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-, 2-(2-chlorophenoxy)-5-nitro-benzonitrile
| Molecular Formula | C13H7ClN2O3 |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.01453 |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 99902-77-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl |
| InChIKey | OVUDUJKNHDOXEX-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 2-(2-chlorophenoxy)-5-nitro- (CAS 99902-77-9), with molecular formula C13H7ClN2O3 and molecular weight 274.01 g/mol. IUPAC: 2-(2-chlorophenoxy)-5-nitrobenzonitrile.
Chemical Property Profile of Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-
Property Insights of Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-
The XLogP value of 3.6 indicates that Benzonitrile, 2-(2-chlorophenoxy)-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-. Following Lipinski's Rule of Five, Benzonitrile, 2-(2-chlorophenoxy)-5-nitro- 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 Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-?
The CAS number of Benzonitrile, 2-(2-chlorophenoxy)-5-nitro- is 99902-77-9.
What is the molecular formula of Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-?
The molecular formula of Benzonitrile, 2-(2-chlorophenoxy)-5-nitro- is C13H7ClN2O3.
What is the molecular weight of Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-?
The molecular weight of Benzonitrile, 2-(2-chlorophenoxy)-5-nitro- is 274.01 g/mol.
Where can I buy Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-?
You can request a quote for Benzonitrile, 2-(2-chlorophenoxy)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-(2-chlorophenoxy)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.