Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-
TL;DR: Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)- (CAS 395-85-7) is a chemical compound with molecular formula C9H6ClF3O3 and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-1,1,2-trifluoroethoxy)benzoic acid
Also Known As: Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-, 2-(2-chloro-1,1,2-trifluoroethoxy)benzoic acid, 2-(2-chloro-1,1,2-trifluoro-ethoxy)benzoic Acid, 2-(2-chloro-1,1,2-trifluoro-ethoxy)-benzoic acid, 2-(2-CHLORO-1,1,2-TRIFLUOROETHOXY)-BENZOIC ACID
| Molecular Formula | C9H6ClF3O3 |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 2.8908 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.99576 |
| Heavy Atoms | 16 |
| Complexity | 395.3405 |
Chemical Identifiers
| CAS Number | 395-85-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC(C(F)Cl)(F)F |
Product Overview
Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)- (CAS 395-85-7), with molecular formula C9H6ClF3O3 and molecular weight 254.00 g/mol. IUPAC: 2-(2-chloro-1,1,2-trifluoroethoxy)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-
Property Insights of Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-
The XLogP value of 2.8908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-. With a topological polar surface area (TPSA) of 46.53 Ų, Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)- 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 Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-?
The CAS number of Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)- is 395-85-7.
What is the molecular formula of Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-?
The molecular formula of Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)- is C9H6ClF3O3.
What is the molecular weight of Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-?
The molecular weight of Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)- is 254.00 g/mol.
Where can I buy Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-?
You can request a quote for Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(2-chloro-1,1,2-trifluoroethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.