4-Nitro-2-phosphono-benzoic acid
TL;DR: 4-Nitro-2-phosphono-benzoic acid (CAS 102153-78-6) is a chemical compound with molecular formula C7H6NO7P and molecular weight 246.98819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitro-2-phosphonobenzoic acid
Also Known As: 4-nitro-2-phosphonobenzoic acid, 4-nitro-2-phosphono-benzoic acid, 4NO, 682-991-5
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6NO7P |
| Molecular Weight | 246.98819 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.98819 Da |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])P(=O)(O)O)C(=O)O |
| InChIKey | PFWUFGANONPVGT-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitro-2-phosphono-benzoic acid
Property Insights of 4-Nitro-2-phosphono-benzoic acid
The XLogP value of -0.6 indicates that 4-Nitro-2-phosphono-benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 4-Nitro-2-phosphono-benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitro-2-phosphono-benzoic acid has 3 hydrogen bond donor(s) and 7 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-Nitro-2-phosphono-benzoic acid?
The CAS number of 4-Nitro-2-phosphono-benzoic acid is 102153-78-6.
What is the molecular formula of 4-Nitro-2-phosphono-benzoic acid?
The molecular formula of 4-Nitro-2-phosphono-benzoic acid is C7H6NO7P.
What is the molecular weight of 4-Nitro-2-phosphono-benzoic acid?
The molecular weight of 4-Nitro-2-phosphono-benzoic acid is 246.98819 g/mol.
Where can I buy 4-Nitro-2-phosphono-benzoic acid?
You can request a quote for 4-Nitro-2-phosphono-benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-2-phosphono-benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-2-phosphono-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.