Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester)
TL;DR: Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester) (CAS 14572-50-0) is a chemical compound with molecular formula C8H5Cl3N2O4 and molecular weight 297.9315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4,6-trichloro-2-nitrophenyl) N-methylcarbamate
Also Known As: 2-Nitro-3,4,6-trichlorophenol methylcarbamate, (3,4,6-trichloro-2-nitrophenyl) N-methylcarbamate, Phenol, 2-nitro-3,4,6-trichlloro-, methylcarbamate, Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester), 3,4,6-trichloro-2-nitrophenyl methylcarbamate
Technical Specifications
| Molecular Formula | C8H5Cl3N2O4 |
| Molecular Weight | 297.9315 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.9315 Da |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
| SMILES | CNC(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | ZQIUPCJOANRBAP-UHFFFAOYSA-N |
Chemical Property Profile of Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester)
Property Insights of Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester)
The XLogP value of 3.2 indicates that Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester). Following Lipinski's Rule of Five, Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester)?
The CAS number of Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester) is 14572-50-0.
What is the molecular formula of Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester)?
The molecular formula of Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester) is C8H5Cl3N2O4.
What is the molecular weight of Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester)?
The molecular weight of Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester) is 297.9315 g/mol.
Where can I buy Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester)?
You can request a quote for Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester)?
Yes, CoreyChem provides custom synthesis services for Phenol, 3,4,6-trichloro-2-nitro-, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.