4-Bromo-2-nitrophenylacetic Acid
TL;DR: 4-Bromo-2-nitrophenylacetic Acid (CAS 1105067-88-6) is a chemical compound with molecular formula C8H6BrNO4 and molecular weight 258.94803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromo-2-nitrophenyl)acetic acid
Also Known As: 2-(4-bromo-2-nitrophenyl)acetic acid, 4-Bromo-2-nitrophenylacetic acid, (4-bromo-2-nitrophenyl)acetic acid, GinkgolideJ, (4-BROMO-2-NITRO-PHENYL)-ACETIC ACID
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6BrNO4 |
| Molecular Weight | 258.94803 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.94803 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])CC(=O)O |
| InChIKey | LBZPHZBNFDOCCR-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-2-nitrophenylacetic Acid
Property Insights of 4-Bromo-2-nitrophenylacetic Acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-nitrophenylacetic Acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-nitrophenylacetic Acid. Following Lipinski's Rule of Five, 4-Bromo-2-nitrophenylacetic Acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-nitrophenylacetic Acid?
The CAS number of 4-Bromo-2-nitrophenylacetic Acid is 1105067-88-6.
What is the molecular formula of 4-Bromo-2-nitrophenylacetic Acid?
The molecular formula of 4-Bromo-2-nitrophenylacetic Acid is C8H6BrNO4.
What is the molecular weight of 4-Bromo-2-nitrophenylacetic Acid?
The molecular weight of 4-Bromo-2-nitrophenylacetic Acid is 258.94803 g/mol.
Where can I buy 4-Bromo-2-nitrophenylacetic Acid?
You can request a quote for 4-Bromo-2-nitrophenylacetic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-2-nitrophenylacetic Acid?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-2-nitrophenylacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.