1,2-Benzenedicarboxylic acid, 4-nitro-
TL;DR: 1,2-Benzenedicarboxylic acid, 4-nitro- (CAS 610-27-5) is a chemical compound with molecular formula C8H5NO6 and molecular weight 211.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrophthalic acid
Also Known As: 4-Nitrophthalic acid, 5-Nitrophthalic acid, 4-nitrobenzene-1,2-dicarboxylic acid, alpha-Pyridoin, 4-Nitrophthalicacid
| Molecular Formula | C8H5NO6 |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.01169 |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 610-27-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O |
| InChIKey | SLBQXWXKPNIVSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, 4-nitro- (CAS 610-27-5), with molecular formula C8H5NO6 and molecular weight 211.01 g/mol. IUPAC: 4-nitrophthalic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 4-nitro-
Property Insights of 1,2-Benzenedicarboxylic acid, 4-nitro-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, 4-nitro-. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 4-nitro-. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4-nitro- has 2 hydrogen bond donor(s) and 6 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 1,2-Benzenedicarboxylic acid, 4-nitro-?
The CAS number of 1,2-Benzenedicarboxylic acid, 4-nitro- is 610-27-5.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 4-nitro-?
The molecular formula of 1,2-Benzenedicarboxylic acid, 4-nitro- is C8H5NO6.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 4-nitro-?
The molecular weight of 1,2-Benzenedicarboxylic acid, 4-nitro- is 211.01 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 4-nitro-?
You can request a quote for 1,2-Benzenedicarboxylic acid, 4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.