Benzonitrile, trichlorohydroxy-
TL;DR: Benzonitrile, trichlorohydroxy- (CAS 88968-74-5) is a chemical compound with molecular formula C7H2Cl3NO and molecular weight 220.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trichloro-2-hydroxybenzonitrile
Also Known As: Benzonitrile, trichlorohydroxy-, 3,4,5-trichloro-2-hydroxybenzonitrile, 3,4,5-trichloro-2-hydroxy-benzonitrile
| Molecular Formula | C7H2Cl3NO |
|---|---|
| Molecular Weight | 220.92 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.9202 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 88968-74-5 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)Cl)O)C#N |
| InChIKey | SVIIBMLMMHVAQR-UHFFFAOYSA-N |
Product Overview
Benzonitrile, trichlorohydroxy- (CAS 88968-74-5), with molecular formula C7H2Cl3NO and molecular weight 220.92 g/mol. IUPAC: 3,4,5-trichloro-2-hydroxybenzonitrile.
Chemical Property Profile of Benzonitrile, trichlorohydroxy-
Property Insights of Benzonitrile, trichlorohydroxy-
The XLogP value of 4.1 indicates that Benzonitrile, trichlorohydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, Benzonitrile, trichlorohydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, trichlorohydroxy- has 1 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 Benzonitrile, trichlorohydroxy-?
The CAS number of Benzonitrile, trichlorohydroxy- is 88968-74-5.
What is the molecular formula of Benzonitrile, trichlorohydroxy-?
The molecular formula of Benzonitrile, trichlorohydroxy- is C7H2Cl3NO.
What is the molecular weight of Benzonitrile, trichlorohydroxy-?
The molecular weight of Benzonitrile, trichlorohydroxy- is 220.92 g/mol.
Where can I buy Benzonitrile, trichlorohydroxy-?
You can request a quote for Benzonitrile, trichlorohydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, trichlorohydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, trichlorohydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.