2-Bromo-3-nitrophenol
TL;DR: 2-Bromo-3-nitrophenol (CAS 101935-40-4) is a chemical compound with molecular formula C6H4BrNO3 and molecular weight 216.93745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-3-nitrophenol
Also Known As: 2-bromo-3-nitrophenol, Phenol, 2-bromo-3-nitro-, 2-bromo-3-nitro-Phenol, Phenol,2-bromo-3-nitro-, 2-bromo-3 nitrophenol
Technical Specifications
| Molecular Formula | C6H4BrNO3 |
| Molecular Weight | 216.93745 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.93745 Da |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| SMILES | C1=CC(=C(C(=C1)O)Br)[N+](=O)[O-] |
| InChIKey | HRVRWIBVVHOHNN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-3-nitrophenol
Property Insights of 2-Bromo-3-nitrophenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-nitrophenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-3-nitrophenol. Following Lipinski's Rule of Five, 2-Bromo-3-nitrophenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Bromo-3-nitrophenol?
The CAS number of 2-Bromo-3-nitrophenol is 101935-40-4.
What is the molecular formula of 2-Bromo-3-nitrophenol?
The molecular formula of 2-Bromo-3-nitrophenol is C6H4BrNO3.
What is the molecular weight of 2-Bromo-3-nitrophenol?
The molecular weight of 2-Bromo-3-nitrophenol is 216.93745 g/mol.
Where can I buy 2-Bromo-3-nitrophenol?
You can request a quote for 2-Bromo-3-nitrophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-3-nitrophenol?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-3-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.