2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate
TL;DR: 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate (CAS 84478-89-7) is a chemical compound with molecular formula C8H5ClFNO5 and molecular weight 248.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-fluoro-5-nitrophenyl) methyl carbonate
Also Known As: 2-chloro-4-fluoro-5-nitrophenyl methyl carbonate, (2-chloro-4-fluoro-5-nitrophenyl) methyl carbonate, 4-Chloro-5-methoxycarbonyloxy-2-fluoronitrobenzene, 2-chloro-4-fluoro-5-nitrophenylmethylcarbonate, 2-chloro-4-fluoro-5-nitro-methoxycarbonyloxybenzene
| Molecular Formula | C8H5ClFNO5 |
|---|---|
| Molecular Weight | 248.98 g/mol |
| LogP | 2.5325 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.98402 |
| Heavy Atoms | 16 |
| Complexity | 450.29996 |
Chemical Identifiers
| CAS Number | 84478-89-7 |
|---|---|
| SMILES | COC(=O)OC1=C(C=C(C(=C1)[N+](=O)[O-])F)Cl |
Product Overview
2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate (CAS 84478-89-7), with molecular formula C8H5ClFNO5 and molecular weight 248.98 g/mol. IUPAC: (2-chloro-4-fluoro-5-nitrophenyl) methyl carbonate.
Chemical Property Profile of 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate
Property Insights of 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate
The XLogP value of 2.5325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate. Following Lipinski's Rule of Five, 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate has 0 hydrogen bond donor(s) and 5 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 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate?
The CAS number of 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate is 84478-89-7.
What is the molecular formula of 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate?
The molecular formula of 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate is C8H5ClFNO5.
What is the molecular weight of 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate?
The molecular weight of 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate is 248.98 g/mol.
Where can I buy 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate?
You can request a quote for 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-fluoro-5-nitrophenyl methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.