Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro-
TL;DR: Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro- (CAS 31469-84-8) is a chemical compound with molecular formula C7ClF4N and molecular weight 208.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,3,5,6-tetrafluorobenzonitrile
Also Known As: 4-chloro-2,3,5,6-tetrafluorobenzonitrile, 4-chlorotetrafluorophenyl cyanide, Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro-, 2,3,5,6-Tetrafluoro-4-chlorobenzonitrile, 4-chloro-2,3,5,6-tetrafluoro-benzonitrile
| Molecular Formula | C7ClF4N |
|---|---|
| Molecular Weight | 208.97 g/mol |
| LogP | 2.76808 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.96555 |
| Heavy Atoms | 13 |
| Complexity | 380.92917 |
Chemical Identifiers
| CAS Number | 31469-84-8 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)Cl)F)F |
Product Overview
Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro- (CAS 31469-84-8), with molecular formula C7ClF4N and molecular weight 208.97 g/mol. IUPAC: 4-chloro-2,3,5,6-tetrafluorobenzonitrile.
Chemical Property Profile of Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro-
Property Insights of Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro-
The XLogP value of 2.76808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro-. With a topological polar surface area (TPSA) of 23.79 Ų, Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro- has 0 hydrogen bond donor(s) and 1 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, 4-chloro-2,3,5,6-tetrafluoro-?
The CAS number of Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro- is 31469-84-8.
What is the molecular formula of Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro-?
The molecular formula of Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro- is C7ClF4N.
What is the molecular weight of Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro-?
The molecular weight of Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro- is 208.97 g/mol.
Where can I buy Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro-?
You can request a quote for Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-chloro-2,3,5,6-tetrafluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.