Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro-
TL;DR: Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- (CAS 69576-80-3) is a chemical compound with molecular formula C7H3Cl4NO3 and molecular weight 288.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrachloro-5-methoxy-6-nitrobenzene
Also Known As: Tetrachloronitroanisole, 1,2,3,4-Tetrachloro-5-methoxy-6-nitrobenzene, Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro-, 1,2,3,4-Tetrachloro-5-methoxy-6-nitrobenzene #
| Molecular Formula | C7H3Cl4NO3 |
|---|---|
| Molecular Weight | 288.89 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.88672 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 69576-80-3 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | RWGZRRPLEGKJDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- (CAS 69576-80-3), with molecular formula C7H3Cl4NO3 and molecular weight 288.89 g/mol. IUPAC: 1,2,3,4-tetrachloro-5-methoxy-6-nitrobenzene.
Chemical Property Profile of Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro-
Property Insights of Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro-
The XLogP value of 3.6 indicates that Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- has 0 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 Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro-?
The CAS number of Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- is 69576-80-3.
What is the molecular formula of Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro-?
The molecular formula of Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- is C7H3Cl4NO3.
What is the molecular weight of Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro-?
The molecular weight of Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- is 288.89 g/mol.
Where can I buy Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro-?
You can request a quote for Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2,3,4-tetrachloro-5-methoxy-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.