Bromochloronitromethane
TL;DR: Bromochloronitromethane (CAS 13583-20-5) is a chemical compound with molecular formula CHBrClNO2 and molecular weight 172.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bromo-chloro-nitromethane
Also Known As: Bromochloronitromethane, bromo-chloro-nitromethane, bromo(chloro)nitromethane, Methane, bromochloronitro-, CHBrClNO2
| Molecular Formula | CHBrClNO2 |
|---|---|
| Molecular Weight | 172.89 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.88792 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 13583-20-5 |
|---|---|
| SMILES | C([N+](=O)[O-])(Cl)Br |
| InChIKey | QUGLTGHXUDTPKJ-UHFFFAOYSA-N |
Product Overview
Bromochloronitromethane (CAS 13583-20-5), with molecular formula CHBrClNO2 and molecular weight 172.89 g/mol. IUPAC: bromo-chloro-nitromethane.
Chemical Property Profile of Bromochloronitromethane
Property Insights of Bromochloronitromethane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromochloronitromethane. With a topological polar surface area (TPSA) of 45.8 Ų, Bromochloronitromethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromochloronitromethane has 0 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 Bromochloronitromethane?
The CAS number of Bromochloronitromethane is 13583-20-5.
What is the molecular formula of Bromochloronitromethane?
The molecular formula of Bromochloronitromethane is CHBrClNO2.
What is the molecular weight of Bromochloronitromethane?
The molecular weight of Bromochloronitromethane is 172.89 g/mol.
Where can I buy Bromochloronitromethane?
You can request a quote for Bromochloronitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromochloronitromethane?
Yes, KEHONG BIO provides custom synthesis services for Bromochloronitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.