Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate
TL;DR: Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate (CAS 206986-86-9) is a chemical compound with molecular formula C9H5Cl2F3O2 and molecular weight 271.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[chloro-[2-(trifluoromethyl)phenyl]methyl] carbonochloridate
Also Known As: alpha-Chloro-2-(trifluoromethyl)benzyl chloroformate, Chloro[2-(trifluoromethyl)phenyl]methyl carbonochloridate, [chloro-[2-(trifluoromethyl)phenyl]methyl] carbonochloridate, A-Chloro-2-(trifluoromethyl)benzyl chloroformate, -Chloro-2-(trifluoromethyl)benzyl chloroformate
| Molecular Formula | C9H5Cl2F3O2 |
|---|---|
| Molecular Weight | 271.96 g/mol |
| LogP | 4.3182 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.96188 |
| Heavy Atoms | 16 |
| Complexity | 392.58563 |
Chemical Identifiers
| CAS Number | 206986-86-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(OC(=O)Cl)Cl)C(F)(F)F |
Product Overview
Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate (CAS 206986-86-9), with molecular formula C9H5Cl2F3O2 and molecular weight 271.96 g/mol. IUPAC: [chloro-[2-(trifluoromethyl)phenyl]methyl] carbonochloridate.
Chemical Property Profile of Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate
Property Insights of Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate
The XLogP value of 4.3182 indicates that Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate 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 Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate?
The CAS number of Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate is 206986-86-9.
What is the molecular formula of Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate?
The molecular formula of Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate is C9H5Cl2F3O2.
What is the molecular weight of Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate?
The molecular weight of Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate is 271.96 g/mol.
Where can I buy Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate?
You can request a quote for Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate?
Yes, KEHONG BIO provides custom synthesis services for Chloro(2-(trifluoromethyl)phenyl)methyl carbonochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.