Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester
TL;DR: Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester (CAS 2255-15-4) is a chemical compound with molecular formula C8H9ClNO6P and molecular weight 280.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-nitrophenyl) dimethyl phosphate
Also Known As: Chlorooxon, Chloroxon methyl, Methyl chloroxon, 3-Chloro-4-nitrophenyl dimethyl phosphate, Dimethyl 3-chloro-4-nitrophenyl phosphate
| Molecular Formula | C8H9ClNO6P |
|---|---|
| Molecular Weight | 280.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.9856 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 2255-15-4 |
|---|---|
| SMILES | COP(=O)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | LVSQMNHBBYWRRX-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester (CAS 2255-15-4), with molecular formula C8H9ClNO6P and molecular weight 280.99 g/mol. IUPAC: (3-chloro-4-nitrophenyl) dimethyl phosphate.
Chemical Property Profile of Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester
Property Insights of Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester. Following Lipinski's Rule of Five, Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester has 0 hydrogen bond donor(s) and 6 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 Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester?
The CAS number of Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester is 2255-15-4.
What is the molecular formula of Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester?
The molecular formula of Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester is C8H9ClNO6P.
What is the molecular weight of Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester?
The molecular weight of Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester is 280.99 g/mol.
Where can I buy Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester?
You can request a quote for Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.