(3-氯-4-氟苯氧基)乙酸
TL;DR: (3-氯-4-氟苯氧基)乙酸 (CAS 3800-86-0) is a chemical compound with molecular formula C8H6ClFO3 and molecular weight 204.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-氯-4-氟苯氧基)乙酸
2-(3-chloro-4-fluorophenoxy)acetic acid
Also Known As: (3-chloro-4-fluorophenoxy)acetic acid, 2-(3-chloro-4-fluorophenoxy)acetic acid, aceticacid, 3-chloro-4-fluorophenoxyacetic acid, TIMTEC-BB SBB009308
| Molecular Formula | C8H6ClFO3 |
|---|---|
| Molecular Weight | 204.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.99895 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 3800-86-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1OCC(=O)O)Cl)F |
| InChIKey | JHDKSQRVPAURMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-氯-4-氟苯氧基)乙酸 (CAS 3800-86-0), with molecular formula C8H6ClFO3 and molecular weight 204.00 g/mol. IUPAC: 2-(3-chloro-4-fluorophenoxy)acetic acid.
Chemical Property Profile of (3-氯-4-氟苯氧基)乙酸
Property Insights of (3-氯-4-氟苯氧基)乙酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-氯-4-氟苯氧基)乙酸. With a topological polar surface area (TPSA) of 46.5 Ų, (3-氯-4-氟苯氧基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-氯-4-氟苯氧基)乙酸 has 1 hydrogen bond donor(s) and 4 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-4-氟苯氧基)乙酸?
The CAS number of (3-氯-4-氟苯氧基)乙酸 is 3800-86-0.
What is the molecular formula of (3-氯-4-氟苯氧基)乙酸?
The molecular formula of (3-氯-4-氟苯氧基)乙酸 is C8H6ClFO3.
What is the molecular weight of (3-氯-4-氟苯氧基)乙酸?
The molecular weight of (3-氯-4-氟苯氧基)乙酸 is 204.00 g/mol.
Where can I buy (3-氯-4-氟苯氧基)乙酸?
You can request a quote for (3-氯-4-氟苯氧基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-氯-4-氟苯氧基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (3-氯-4-氟苯氧基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.