3,6-Dichloro-2-hydroxybenzonitrile
TL;DR: 3,6-Dichloro-2-hydroxybenzonitrile (CAS 28165-62-0) 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.
3,6-dichloro-2-hydroxybenzonitrile
Also Known As: 3,6-Dichloro-2-hydroxybenzonitrile, Benzonitrile, 3,6-dichloro-2-hydroxy-, Benzonitrile,3,6-dichloro-2-hydroxy-
| Molecular Formula | C7H3Cl2NO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 2.57068 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.95917 |
| Heavy Atoms | 11 |
| Complexity | 329.94785 |
Chemical Identifiers
| CAS Number | 28165-62-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)C#N)O)Cl |
Product Overview
3,6-Dichloro-2-hydroxybenzonitrile (CAS 28165-62-0), with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol. IUPAC: 3,6-dichloro-2-hydroxybenzonitrile.
Chemical Property Profile of 3,6-Dichloro-2-hydroxybenzonitrile
Property Insights of 3,6-Dichloro-2-hydroxybenzonitrile
The XLogP value of 2.57068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dichloro-2-hydroxybenzonitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 3,6-Dichloro-2-hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dichloro-2-hydroxybenzonitrile 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 3,6-Dichloro-2-hydroxybenzonitrile?
The CAS number of 3,6-Dichloro-2-hydroxybenzonitrile is 28165-62-0.
What is the molecular formula of 3,6-Dichloro-2-hydroxybenzonitrile?
The molecular formula of 3,6-Dichloro-2-hydroxybenzonitrile is C7H3Cl2NO.
What is the molecular weight of 3,6-Dichloro-2-hydroxybenzonitrile?
The molecular weight of 3,6-Dichloro-2-hydroxybenzonitrile is 186.96 g/mol.
Where can I buy 3,6-Dichloro-2-hydroxybenzonitrile?
You can request a quote for 3,6-Dichloro-2-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dichloro-2-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dichloro-2-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.