2-Bromo-3-nitrobenzoyl chloride
TL;DR: 2-Bromo-3-nitrobenzoyl chloride (CAS 6947-45-1) is a chemical compound with molecular formula C7H3BrClNO3 and molecular weight 262.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-nitrobenzoyl chloride
Also Known As: 2-bromo-3-nitrobenzoyl chloride, 2-bromo-3-nitrobenzoic acid chloride, 2-bromo-3-nitro-benzoyl chloride, J2.285.393G
| Molecular Formula | C7H3BrClNO3 |
|---|---|
| Molecular Weight | 262.90 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.89847 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 6947-45-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)Cl |
| InChIKey | BETVLJMOJDGFLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3-nitrobenzoyl chloride (CAS 6947-45-1), with molecular formula C7H3BrClNO3 and molecular weight 262.90 g/mol. IUPAC: 2-bromo-3-nitrobenzoyl chloride.
Chemical Property Profile of 2-Bromo-3-nitrobenzoyl chloride
Property Insights of 2-Bromo-3-nitrobenzoyl chloride
The XLogP value of 3.0 indicates that 2-Bromo-3-nitrobenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-3-nitrobenzoyl chloride. Following Lipinski's Rule of Five, 2-Bromo-3-nitrobenzoyl chloride has 0 hydrogen bond donor(s) and 3 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 2-Bromo-3-nitrobenzoyl chloride?
The CAS number of 2-Bromo-3-nitrobenzoyl chloride is 6947-45-1.
What is the molecular formula of 2-Bromo-3-nitrobenzoyl chloride?
The molecular formula of 2-Bromo-3-nitrobenzoyl chloride is C7H3BrClNO3.
What is the molecular weight of 2-Bromo-3-nitrobenzoyl chloride?
The molecular weight of 2-Bromo-3-nitrobenzoyl chloride is 262.90 g/mol.
Where can I buy 2-Bromo-3-nitrobenzoyl chloride?
You can request a quote for 2-Bromo-3-nitrobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-nitrobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-nitrobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.