1-Chloro-2-iodo-3-methyl-5-nitrobenzene
TL;DR: 1-Chloro-2-iodo-3-methyl-5-nitrobenzene (CAS 959575-00-9) is a chemical compound with molecular formula C7H5ClINO2 and molecular weight 296.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-iodo-3-methyl-5-nitrobenzene
Also Known As: 3-Chloro-2-iodo-5-nitrotoluene, 1-chloro-2-iodo-3-methyl-5-nitrobenzene
| Molecular Formula | C7H5ClINO2 |
|---|---|
| Molecular Weight | 296.91 g/mol |
| LogP | 3.16122 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.90536 |
| Heavy Atoms | 12 |
| Complexity | 317.1734 |
Chemical Identifiers
| CAS Number | 959575-00-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1I)Cl)[N+](=O)[O-] |
Product Overview
1-Chloro-2-iodo-3-methyl-5-nitrobenzene (CAS 959575-00-9), with molecular formula C7H5ClINO2 and molecular weight 296.91 g/mol. IUPAC: 1-chloro-2-iodo-3-methyl-5-nitrobenzene.
Chemical Property Profile of 1-Chloro-2-iodo-3-methyl-5-nitrobenzene
Property Insights of 1-Chloro-2-iodo-3-methyl-5-nitrobenzene
The XLogP value of 3.16122 indicates that 1-Chloro-2-iodo-3-methyl-5-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Chloro-2-iodo-3-methyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-iodo-3-methyl-5-nitrobenzene has 0 hydrogen bond donor(s) and 2 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 1-Chloro-2-iodo-3-methyl-5-nitrobenzene?
The CAS number of 1-Chloro-2-iodo-3-methyl-5-nitrobenzene is 959575-00-9.
What is the molecular formula of 1-Chloro-2-iodo-3-methyl-5-nitrobenzene?
The molecular formula of 1-Chloro-2-iodo-3-methyl-5-nitrobenzene is C7H5ClINO2.
What is the molecular weight of 1-Chloro-2-iodo-3-methyl-5-nitrobenzene?
The molecular weight of 1-Chloro-2-iodo-3-methyl-5-nitrobenzene is 296.91 g/mol.
Where can I buy 1-Chloro-2-iodo-3-methyl-5-nitrobenzene?
You can request a quote for 1-Chloro-2-iodo-3-methyl-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-iodo-3-methyl-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-iodo-3-methyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.