4-Bromo-2-chlorophenyl 2-nitrobenzoate
TL;DR: 4-Bromo-2-chlorophenyl 2-nitrobenzoate (CAS 587841-28-9) is a chemical compound with molecular formula C13H7BrClNO4 and molecular weight 354.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-chlorophenyl) 2-nitrobenzoate
Also Known As: 4-bromo-2-chlorophenyl 2-nitrobenzoate, (4-bromo-2-chlorophenyl) 2-nitrobenzoate
| Molecular Formula | C13H7BrClNO4 |
|---|---|
| Molecular Weight | 354.92 g/mol |
| LogP | 4.2299 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.9247 |
| Heavy Atoms | 20 |
| Complexity | 689.8214 |
Chemical Identifiers
| CAS Number | 587841-28-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)Cl)[N+](=O)[O-] |
Product Overview
4-Bromo-2-chlorophenyl 2-nitrobenzoate (CAS 587841-28-9), with molecular formula C13H7BrClNO4 and molecular weight 354.92 g/mol. IUPAC: (4-bromo-2-chlorophenyl) 2-nitrobenzoate.
Chemical Property Profile of 4-Bromo-2-chlorophenyl 2-nitrobenzoate
Property Insights of 4-Bromo-2-chlorophenyl 2-nitrobenzoate
The XLogP value of 4.2299 indicates that 4-Bromo-2-chlorophenyl 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-chlorophenyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 4-Bromo-2-chlorophenyl 2-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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-chlorophenyl 2-nitrobenzoate?
The CAS number of 4-Bromo-2-chlorophenyl 2-nitrobenzoate is 587841-28-9.
What is the molecular formula of 4-Bromo-2-chlorophenyl 2-nitrobenzoate?
The molecular formula of 4-Bromo-2-chlorophenyl 2-nitrobenzoate is C13H7BrClNO4.
What is the molecular weight of 4-Bromo-2-chlorophenyl 2-nitrobenzoate?
The molecular weight of 4-Bromo-2-chlorophenyl 2-nitrobenzoate is 354.92 g/mol.
Where can I buy 4-Bromo-2-chlorophenyl 2-nitrobenzoate?
You can request a quote for 4-Bromo-2-chlorophenyl 2-nitrobenzoate 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-chlorophenyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-chlorophenyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.