3,4,6-Trichloro-2-(2-nitroethenyl)phenol
TL;DR: 3,4,6-Trichloro-2-(2-nitroethenyl)phenol (CAS 78335-97-4) is a chemical compound with molecular formula C8H4Cl3NO3 and molecular weight 266.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-trichloro-2-(2-nitroethenyl)phenol
Also Known As: 3,4,6-trichloro-2-(2-nitroethenyl)phenol, 3,4,6-trichloro-2-[(E)-2-nitroethenyl]phenol
| Molecular Formula | C8H4Cl3NO3 |
|---|---|
| Molecular Weight | 266.93 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.9257 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 78335-97-4 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)C=C[N+](=O)[O-])O)Cl |
| InChIKey | SMMZCSPRJLFSPV-UHFFFAOYSA-N |
Product Overview
3,4,6-Trichloro-2-(2-nitroethenyl)phenol (CAS 78335-97-4), with molecular formula C8H4Cl3NO3 and molecular weight 266.93 g/mol. IUPAC: 3,4,6-trichloro-2-(2-nitroethenyl)phenol.
Chemical Property Profile of 3,4,6-Trichloro-2-(2-nitroethenyl)phenol
Property Insights of 3,4,6-Trichloro-2-(2-nitroethenyl)phenol
The XLogP value of 3.7 indicates that 3,4,6-Trichloro-2-(2-nitroethenyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,6-Trichloro-2-(2-nitroethenyl)phenol. Following Lipinski's Rule of Five, 3,4,6-Trichloro-2-(2-nitroethenyl)phenol 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 3,4,6-Trichloro-2-(2-nitroethenyl)phenol?
The CAS number of 3,4,6-Trichloro-2-(2-nitroethenyl)phenol is 78335-97-4.
What is the molecular formula of 3,4,6-Trichloro-2-(2-nitroethenyl)phenol?
The molecular formula of 3,4,6-Trichloro-2-(2-nitroethenyl)phenol is C8H4Cl3NO3.
What is the molecular weight of 3,4,6-Trichloro-2-(2-nitroethenyl)phenol?
The molecular weight of 3,4,6-Trichloro-2-(2-nitroethenyl)phenol is 266.93 g/mol.
Where can I buy 3,4,6-Trichloro-2-(2-nitroethenyl)phenol?
You can request a quote for 3,4,6-Trichloro-2-(2-nitroethenyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-Trichloro-2-(2-nitroethenyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-Trichloro-2-(2-nitroethenyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.