Acetic acid, bromochlorophosphono-
TL;DR: Acetic acid, bromochlorophosphono- (CAS 111863-21-9) is a chemical compound with molecular formula C2H3BrClO5P and molecular weight 251.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-chloro-2-phosphonoacetic acid
Also Known As: Acetic acid, bromochlorophosphono-, 2-bromo-2-chloro-2-phosphonoacetic acid, 2-bromo-2-chloro-2-phosphono-acetic acid, 2-bromo-2-[chlorooxy(hydroxy)phosphoryl]acetic acid
| Molecular Formula | C2H3BrClO5P |
|---|---|
| Molecular Weight | 251.86 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.859 |
| Heavy Atoms | 10 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 111863-21-9 |
|---|---|
| SMILES | C(=O)(C(P(=O)(O)O)(Cl)Br)O |
| InChIKey | LEADNSZENNFQFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, bromochlorophosphono- (CAS 111863-21-9), with molecular formula C2H3BrClO5P and molecular weight 251.86 g/mol. IUPAC: 2-bromo-2-chloro-2-phosphonoacetic acid.
Chemical Property Profile of Acetic acid, bromochlorophosphono-
Property Insights of Acetic acid, bromochlorophosphono-
The XLogP value of -0.6 indicates that Acetic acid, bromochlorophosphono- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, bromochlorophosphono-. Following Lipinski's Rule of Five, Acetic acid, bromochlorophosphono- has 3 hydrogen bond donor(s) and 5 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 Acetic acid, bromochlorophosphono-?
The CAS number of Acetic acid, bromochlorophosphono- is 111863-21-9.
What is the molecular formula of Acetic acid, bromochlorophosphono-?
The molecular formula of Acetic acid, bromochlorophosphono- is C2H3BrClO5P.
What is the molecular weight of Acetic acid, bromochlorophosphono-?
The molecular weight of Acetic acid, bromochlorophosphono- is 251.86 g/mol.
Where can I buy Acetic acid, bromochlorophosphono-?
You can request a quote for Acetic acid, bromochlorophosphono- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, bromochlorophosphono-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, bromochlorophosphono- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.