Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-
TL;DR: Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro- (CAS 125629-22-3) is a chemical compound with molecular formula C7H3ClN2O4 and molecular weight 213.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3,4-dihydroxy-5-nitrobenzonitrile
Also Known As: 2-Chloro-3,4-dihydroxy-5-nitrobenzonitrile, Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-, Benzonitrile,2-chloro-3,4-dihydroxy-5-nitro-, Benzonitrile,2-chloro-3,4-dihydroxy-5-nitro, RefChem:328007
| Molecular Formula | C7H3ClN2O4 |
|---|---|
| Molecular Weight | 213.98 g/mol |
| LogP | 1.53108 |
| Topological Polar Surface Area | 107.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.97813 |
| Heavy Atoms | 14 |
| Complexity | 451.98352 |
Chemical Identifiers
| CAS Number | 125629-22-3 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])O)O)Cl)C#N |
Product Overview
Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro- (CAS 125629-22-3), with molecular formula C7H3ClN2O4 and molecular weight 213.98 g/mol. IUPAC: 2-chloro-3,4-dihydroxy-5-nitrobenzonitrile.
Chemical Property Profile of Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-
Property Insights of Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-
The XLogP value of 1.53108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-. The TPSA of 107.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-. Following Lipinski's Rule of Five, Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro- has 2 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 Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-?
The CAS number of Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro- is 125629-22-3.
What is the molecular formula of Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-?
The molecular formula of Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro- is C7H3ClN2O4.
What is the molecular weight of Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-?
The molecular weight of Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro- is 213.98 g/mol.
Where can I buy Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-?
You can request a quote for Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.