3-(3-Chloro-2,4,6-trinitrophenoxy)phenol
TL;DR: 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol (CAS 94200-68-7) is a chemical compound with molecular formula C12H6ClN3O8 and molecular weight 354.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-2,4,6-trinitrophenoxy)phenol
Also Known As: 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol, EINECS 303-547-6, PHENOL, 3-(3-CHLORO-2,4,6-TRINITROPHENOXY)-, 303-547-6, RefChem:92303
| Molecular Formula | C12H6ClN3O8 |
|---|---|
| Molecular Weight | 354.98 g/mol |
| LogP | 3.5625 |
| Topological Polar Surface Area | 158.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.98434 |
| Heavy Atoms | 24 |
| Complexity | 869.62177 |
Chemical Identifiers
| CAS Number | 94200-68-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-])O |
Product Overview
3-(3-Chloro-2,4,6-trinitrophenoxy)phenol (CAS 94200-68-7), with molecular formula C12H6ClN3O8 and molecular weight 354.98 g/mol. IUPAC: 3-(3-chloro-2,4,6-trinitrophenoxy)phenol.
Chemical Property Profile of 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol
Property Insights of 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol
The XLogP value of 3.5625 indicates that 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.88 Ų indicates high polarity, suggesting 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol has 1 hydrogen bond donor(s) and 8 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-(3-Chloro-2,4,6-trinitrophenoxy)phenol?
The CAS number of 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol is 94200-68-7.
What is the molecular formula of 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol?
The molecular formula of 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol is C12H6ClN3O8.
What is the molecular weight of 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol?
The molecular weight of 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol is 354.98 g/mol.
Where can I buy 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol?
You can request a quote for 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.