Benzonitrile, 3-chloro-4-hydroxy-5-nitro-
TL;DR: Benzonitrile, 3-chloro-4-hydroxy-5-nitro- (CAS 1689-88-9) is a chemical compound with molecular formula C7H3ClN2O3 and molecular weight 197.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-hydroxy-5-nitrobenzonitrile
Also Known As: 3-Chloro-4-hydroxy-5-nitrobenzonitrile, Benzonitrile, 3-chloro-4-hydroxy-5-nitro-, 2-Chloro-4-cyano-6-nitrophenol, 2-Chloro-6-nitro-4-cyanophenol, Benzonitrile,3-chloro-4-hydroxy-5-nitro-
| Molecular Formula | C7H3ClN2O3 |
|---|---|
| Molecular Weight | 197.98 g/mol |
| LogP | 1.82548 |
| Topological Polar Surface Area | 87.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.98322 |
| Heavy Atoms | 13 |
| Complexity | 410.93405 |
Chemical Identifiers
| CAS Number | 1689-88-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)Cl)C#N |
Product Overview
Benzonitrile, 3-chloro-4-hydroxy-5-nitro- (CAS 1689-88-9), with molecular formula C7H3ClN2O3 and molecular weight 197.98 g/mol. IUPAC: 3-chloro-4-hydroxy-5-nitrobenzonitrile.
Chemical Property Profile of Benzonitrile, 3-chloro-4-hydroxy-5-nitro-
Property Insights of Benzonitrile, 3-chloro-4-hydroxy-5-nitro-
The XLogP value of 1.82548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3-chloro-4-hydroxy-5-nitro-. The TPSA of 87.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 3-chloro-4-hydroxy-5-nitro-. Following Lipinski's Rule of Five, Benzonitrile, 3-chloro-4-hydroxy-5-nitro- has 1 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 Benzonitrile, 3-chloro-4-hydroxy-5-nitro-?
The CAS number of Benzonitrile, 3-chloro-4-hydroxy-5-nitro- is 1689-88-9.
What is the molecular formula of Benzonitrile, 3-chloro-4-hydroxy-5-nitro-?
The molecular formula of Benzonitrile, 3-chloro-4-hydroxy-5-nitro- is C7H3ClN2O3.
What is the molecular weight of Benzonitrile, 3-chloro-4-hydroxy-5-nitro-?
The molecular weight of Benzonitrile, 3-chloro-4-hydroxy-5-nitro- is 197.98 g/mol.
Where can I buy Benzonitrile, 3-chloro-4-hydroxy-5-nitro-?
You can request a quote for Benzonitrile, 3-chloro-4-hydroxy-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, 3-chloro-4-hydroxy-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-chloro-4-hydroxy-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.