2-(2-nitroacetyl)benzoic Acid
TL;DR: 2-(2-nitroacetyl)benzoic Acid (CAS 54519-62-9) is a chemical compound with molecular formula C9H7NO5 and molecular weight 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroacetyl)benzoic acid
Also Known As: 2-(2-nitroacetyl)benzoic Acid, 2-(nitroacetyl)benzoic acid, 2-nitroacetyl-benzoic acid, Benzoic acid,2-(nitroacetyl), Benzoic acid, 2-(nitroacetyl)-
| Molecular Formula | C9H7NO5 |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 0.8442 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.03242 |
| Heavy Atoms | 15 |
| Complexity | 426.2658 |
Chemical Identifiers
| CAS Number | 54519-62-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C[N+](=O)[O-])C(=O)O |
Product Overview
2-(2-nitroacetyl)benzoic Acid (CAS 54519-62-9), with molecular formula C9H7NO5 and molecular weight 209.03 g/mol. IUPAC: 2-(2-nitroacetyl)benzoic acid.
Chemical Property Profile of 2-(2-nitroacetyl)benzoic Acid
Property Insights of 2-(2-nitroacetyl)benzoic Acid
The XLogP value of 0.8442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-nitroacetyl)benzoic Acid. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-nitroacetyl)benzoic Acid. Following Lipinski's Rule of Five, 2-(2-nitroacetyl)benzoic 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
Frequently Asked Questions
What is the CAS number of 2-(2-nitroacetyl)benzoic Acid?
The CAS number of 2-(2-nitroacetyl)benzoic Acid is 54519-62-9.
What is the molecular formula of 2-(2-nitroacetyl)benzoic Acid?
The molecular formula of 2-(2-nitroacetyl)benzoic Acid is C9H7NO5.
What is the molecular weight of 2-(2-nitroacetyl)benzoic Acid?
The molecular weight of 2-(2-nitroacetyl)benzoic Acid is 209.03 g/mol.
Where can I buy 2-(2-nitroacetyl)benzoic Acid?
You can request a quote for 2-(2-nitroacetyl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-nitroacetyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-nitroacetyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.