(±)-2-(3-氯苯氧基)丙酸
TL;DR: (±)-2-(3-氯苯氧基)丙酸 (CAS 101-10-0) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(±)-2-(3-氯苯氧基)丙酸
2-(3-chlorophenoxy)propanoic acid
Also Known As: Cloprop, 2-(3-CHLOROPHENOXY)PROPIONIC ACID, 2-(3-Chlorophenoxy)propanoic acid, Metachlorphenprop, Fruitone CPA
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
| Melting Point | 113 °C |
| Boiling Point | 100 °C at 1.5 mm Hg |
| Solubility | In acetone 790.9, dimethyl sulfoxide 268.5, ethanol 710.8, methanol 716.5, iso-octanol 247.3 (all in g/L, 22 °C. In benzene 24.2, chlorobenzene 17.1, toluene 17.6 (all in g/L, 24 °C). In diethylene glycol 390.6, dimethyl formamide 2,354.5, dioxane 789.2 (all in g/L, 24.5 °C). |
| Vapor Pressure | 0.000228 [mmHg] |
Chemical Identifiers
| CAS Number | 101-10-0 |
|---|---|
| SMILES | CC(C(=O)O)OC1=CC(=CC=C1)Cl |
| InChIKey | YNTJKQDWYXUTLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(±)-2-(3-氯苯氧基)丙酸 (CAS 101-10-0), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: 2-(3-chlorophenoxy)propanoic acid.
Chemical Property Profile of (±)-2-(3-氯苯氧基)丙酸
Property Insights of (±)-2-(3-氯苯氧基)丙酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (±)-2-(3-氯苯氧基)丙酸. With a topological polar surface area (TPSA) of 46.5 Ų, (±)-2-(3-氯苯氧基)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (±)-2-(3-氯苯氧基)丙酸 has 1 hydrogen bond donor(s) and 3 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 (±)-2-(3-氯苯氧基)丙酸?
The CAS number of (±)-2-(3-氯苯氧基)丙酸 is 101-10-0.
What is the molecular formula of (±)-2-(3-氯苯氧基)丙酸?
The molecular formula of (±)-2-(3-氯苯氧基)丙酸 is C9H9ClO3.
What is the molecular weight of (±)-2-(3-氯苯氧基)丙酸?
The molecular weight of (±)-2-(3-氯苯氧基)丙酸 is 200.02 g/mol.
Where can I buy (±)-2-(3-氯苯氧基)丙酸?
You can request a quote for (±)-2-(3-氯苯氧基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (±)-2-(3-氯苯氧基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for (±)-2-(3-氯苯氧基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.