Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-
TL;DR: Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- (CAS 99902-89-3) is a chemical compound with molecular formula C13H6Cl3NO and molecular weight 296.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
Also Known As: 5-chloro-2-(3,4-dichlorophenoxy)benzonitrile, 2-Thiophen-2-yl-benzaldehyde, Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-
| Molecular Formula | C13H6Cl3NO |
|---|---|
| Molecular Weight | 296.95 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.9515 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 99902-89-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)C#N)Cl)Cl |
| InChIKey | XIJAMFINYREQMF-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- (CAS 99902-89-3), with molecular formula C13H6Cl3NO and molecular weight 296.95 g/mol. IUPAC: 5-chloro-2-(3,4-dichlorophenoxy)benzonitrile.
Chemical Property Profile of Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-
Property Insights of Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-
The XLogP value of 5.1 indicates that Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-?
The CAS number of Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- is 99902-89-3.
What is the molecular formula of Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-?
The molecular formula of Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- is C13H6Cl3NO.
What is the molecular weight of Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-?
The molecular weight of Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- is 296.95 g/mol.
Where can I buy Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-?
You can request a quote for Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 5-chloro-2-(3,4-dichlorophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.