3-Chloro-5-fluoro-4-methoxybenzonitrile
TL;DR: 3-Chloro-5-fluoro-4-methoxybenzonitrile (CAS 886497-30-9) is a chemical compound with molecular formula C8H5ClFNO and molecular weight 185.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-fluoro-4-methoxybenzonitrile
Also Known As: 3-Chloro-5-fluoro-4-methoxybenzonitrile, 3-chloro-5-fluoro-4-methoxy-benzonitrile, Benzonitrile,3-chloro-5-fluoro-4-methoxy-, 5-chloro-3-fluoro-4-methoxybenzenecarbonitrile, RefChem:278391
| Molecular Formula | C8H5ClFNO |
|---|---|
| Molecular Weight | 185.00 g/mol |
| LogP | 2.35938 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.00436 |
| Heavy Atoms | 12 |
| Complexity | 322.39648 |
Chemical Identifiers
| CAS Number | 886497-30-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)C#N)F |
Product Overview
3-Chloro-5-fluoro-4-methoxybenzonitrile (CAS 886497-30-9), with molecular formula C8H5ClFNO and molecular weight 185.00 g/mol. IUPAC: 3-chloro-5-fluoro-4-methoxybenzonitrile.
Chemical Property Profile of 3-Chloro-5-fluoro-4-methoxybenzonitrile
Property Insights of 3-Chloro-5-fluoro-4-methoxybenzonitrile
The XLogP value of 2.35938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-fluoro-4-methoxybenzonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 3-Chloro-5-fluoro-4-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-fluoro-4-methoxybenzonitrile 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-Chloro-5-fluoro-4-methoxybenzonitrile?
The CAS number of 3-Chloro-5-fluoro-4-methoxybenzonitrile is 886497-30-9.
What is the molecular formula of 3-Chloro-5-fluoro-4-methoxybenzonitrile?
The molecular formula of 3-Chloro-5-fluoro-4-methoxybenzonitrile is C8H5ClFNO.
What is the molecular weight of 3-Chloro-5-fluoro-4-methoxybenzonitrile?
The molecular weight of 3-Chloro-5-fluoro-4-methoxybenzonitrile is 185.00 g/mol.
Where can I buy 3-Chloro-5-fluoro-4-methoxybenzonitrile?
You can request a quote for 3-Chloro-5-fluoro-4-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-fluoro-4-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-fluoro-4-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.