5-Chloro-2-nitrobenzene-1,3-diol
TL;DR: 5-Chloro-2-nitrobenzene-1,3-diol (CAS 88412-30-0) is a chemical compound with molecular formula C6H4ClNO4 and molecular weight 188.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-nitrobenzene-1,3-diol
Also Known As: 5-Chloro-2-nitrobenzene-1,3-diol, 5-chloro-2-nitro-benzene-1,3-diol, Acetic acid,trifluoro-,tetrahydro-2H-pyran-3-yl ester
| Molecular Formula | C6H4ClNO4 |
|---|---|
| Molecular Weight | 188.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.98288 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 88412-30-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)[N+](=O)[O-])O)Cl |
| InChIKey | UILRRWPBEHGWAZ-UHFFFAOYSA-N |
Product Overview
5-Chloro-2-nitrobenzene-1,3-diol (CAS 88412-30-0), with molecular formula C6H4ClNO4 and molecular weight 188.98 g/mol. IUPAC: 5-chloro-2-nitrobenzene-1,3-diol.
Chemical Property Profile of 5-Chloro-2-nitrobenzene-1,3-diol
Property Insights of 5-Chloro-2-nitrobenzene-1,3-diol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-nitrobenzene-1,3-diol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-nitrobenzene-1,3-diol. Following Lipinski's Rule of Five, 5-Chloro-2-nitrobenzene-1,3-diol has 2 hydrogen bond donor(s) and 4 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 5-Chloro-2-nitrobenzene-1,3-diol?
The CAS number of 5-Chloro-2-nitrobenzene-1,3-diol is 88412-30-0.
What is the molecular formula of 5-Chloro-2-nitrobenzene-1,3-diol?
The molecular formula of 5-Chloro-2-nitrobenzene-1,3-diol is C6H4ClNO4.
What is the molecular weight of 5-Chloro-2-nitrobenzene-1,3-diol?
The molecular weight of 5-Chloro-2-nitrobenzene-1,3-diol is 188.98 g/mol.
Where can I buy 5-Chloro-2-nitrobenzene-1,3-diol?
You can request a quote for 5-Chloro-2-nitrobenzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-nitrobenzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-nitrobenzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.