4-Bromo-2-chlorobenzonitrile
TL;DR: 4-Bromo-2-chlorobenzonitrile (CAS 674782-30-0) is a chemical compound with molecular formula C7H3BrClN and molecular weight 214.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-chlorobenzonitrile
Also Known As: 4-Bromo-2-chlorobenzonitrile, 2-Chloro-4-bromobenzonitrile, 4-Bromo-2-chloro-benzonitrile, Benzonitrile, 4-bromo-2-chloro-, Darolutamide Impurity 37
| Molecular Formula | C7H3BrClN |
|---|---|
| Molecular Weight | 214.91 g/mol |
| LogP | 2.97418 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.91374 |
| Heavy Atoms | 10 |
| Complexity | 290.14786 |
Chemical Identifiers
| CAS Number | 674782-30-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)Cl)C#N |
Product Overview
4-Bromo-2-chlorobenzonitrile (CAS 674782-30-0), with molecular formula C7H3BrClN and molecular weight 214.91 g/mol. IUPAC: 4-bromo-2-chlorobenzonitrile.
Chemical Property Profile of 4-Bromo-2-chlorobenzonitrile
Property Insights of 4-Bromo-2-chlorobenzonitrile
The XLogP value of 2.97418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-chlorobenzonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Bromo-2-chlorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-chlorobenzonitrile 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 4-Bromo-2-chlorobenzonitrile?
The CAS number of 4-Bromo-2-chlorobenzonitrile is 674782-30-0.
What is the molecular formula of 4-Bromo-2-chlorobenzonitrile?
The molecular formula of 4-Bromo-2-chlorobenzonitrile is C7H3BrClN.
What is the molecular weight of 4-Bromo-2-chlorobenzonitrile?
The molecular weight of 4-Bromo-2-chlorobenzonitrile is 214.91 g/mol.
Where can I buy 4-Bromo-2-chlorobenzonitrile?
You can request a quote for 4-Bromo-2-chlorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-chlorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-chlorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.