Benzonitrile, 2,6-dichloro-3-hydroxy-
TL;DR: Benzonitrile, 2,6-dichloro-3-hydroxy- (CAS 3336-34-3) is a chemical compound with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-3-hydroxybenzonitrile
Also Known As: 2,6-Dichloro-3-hydroxybenzonitrile, 3-Hydroxydichlobenil, BENZONITRILE, 2,6-DICHLORO-3-HYDROXY-, 2,6-Dichlor-3-hydroxy-benzonitril, 2,6-dichloro-3-hydroxy-benzonitrile
| Molecular Formula | C7H3Cl2NO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.95917 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 3336-34-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1O)Cl)C#N)Cl |
| InChIKey | JAIIUXZFGCEYAH-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 2,6-dichloro-3-hydroxy- (CAS 3336-34-3), with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol. IUPAC: 2,6-dichloro-3-hydroxybenzonitrile.
Chemical Property Profile of Benzonitrile, 2,6-dichloro-3-hydroxy-
Property Insights of Benzonitrile, 2,6-dichloro-3-hydroxy-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 2,6-dichloro-3-hydroxy-. With a topological polar surface area (TPSA) of 44.0 Ų, Benzonitrile, 2,6-dichloro-3-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 2,6-dichloro-3-hydroxy- has 1 hydrogen bond donor(s) and 2 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, 2,6-dichloro-3-hydroxy-?
The CAS number of Benzonitrile, 2,6-dichloro-3-hydroxy- is 3336-34-3.
What is the molecular formula of Benzonitrile, 2,6-dichloro-3-hydroxy-?
The molecular formula of Benzonitrile, 2,6-dichloro-3-hydroxy- is C7H3Cl2NO.
What is the molecular weight of Benzonitrile, 2,6-dichloro-3-hydroxy-?
The molecular weight of Benzonitrile, 2,6-dichloro-3-hydroxy- is 186.96 g/mol.
Where can I buy Benzonitrile, 2,6-dichloro-3-hydroxy-?
You can request a quote for Benzonitrile, 2,6-dichloro-3-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2,6-dichloro-3-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2,6-dichloro-3-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.