3-氯苯氧基乙腈
TL;DR: 3-氯苯氧基乙腈 (CAS 43111-32-6) is a chemical compound with molecular formula C8H6ClNO and molecular weight 167.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯苯氧基乙腈
2-(3-chlorophenoxy)acetonitrile
Also Known As: 3-Chlorophenoxyacetonitrile, 2-(3-chlorophenoxy)acetonitrile, (3-Chlorophenoxy)acetonitrile, Acetonitrile, (3-chlorophenoxy)-, (3-Chlorophenoxy)-acetonitrile
| Molecular Formula | C8H6ClNO |
|---|---|
| Molecular Weight | 167.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.0138 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 43111-32-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)OCC#N |
| InChIKey | NHHNUPMHGVIQQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯苯氧基乙腈 (CAS 43111-32-6), with molecular formula C8H6ClNO and molecular weight 167.01 g/mol. IUPAC: 2-(3-chlorophenoxy)acetonitrile.
Chemical Property Profile of 3-氯苯氧基乙腈
Property Insights of 3-氯苯氧基乙腈
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯苯氧基乙腈. With a topological polar surface area (TPSA) of 33.0 Ų, 3-氯苯氧基乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯苯氧基乙腈 has 0 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-氯苯氧基乙腈?
The CAS number of 3-氯苯氧基乙腈 is 43111-32-6.
What is the molecular formula of 3-氯苯氧基乙腈?
The molecular formula of 3-氯苯氧基乙腈 is C8H6ClNO.
What is the molecular weight of 3-氯苯氧基乙腈?
The molecular weight of 3-氯苯氧基乙腈 is 167.01 g/mol.
Where can I buy 3-氯苯氧基乙腈?
You can request a quote for 3-氯苯氧基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯苯氧基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-氯苯氧基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.