(2-Methyl-4-nitrophenyl)phosphonic acid
TL;DR: (2-Methyl-4-nitrophenyl)phosphonic acid (CAS 100868-20-0) is a chemical compound with molecular formula C7H8NO5P and molecular weight 217.014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-4-nitrophenyl)phosphonic acid
Also Known As: (2-methyl-4-nitrophenyl)phosphonic acid, P-(2-methyl-4-nitrophenyl)Phosphonic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8NO5P |
| Molecular Weight | 217.014 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.014 Da |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])P(=O)(O)O |
| InChIKey | NKVDWVIMDKLENB-UHFFFAOYSA-N |
Chemical Property Profile of (2-Methyl-4-nitrophenyl)phosphonic acid
Property Insights of (2-Methyl-4-nitrophenyl)phosphonic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-4-nitrophenyl)phosphonic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methyl-4-nitrophenyl)phosphonic acid. Following Lipinski's Rule of Five, (2-Methyl-4-nitrophenyl)phosphonic acid has 2 hydrogen bond donor(s) and 5 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-Methyl-4-nitrophenyl)phosphonic acid?
The CAS number of (2-Methyl-4-nitrophenyl)phosphonic acid is 100868-20-0.
What is the molecular formula of (2-Methyl-4-nitrophenyl)phosphonic acid?
The molecular formula of (2-Methyl-4-nitrophenyl)phosphonic acid is C7H8NO5P.
What is the molecular weight of (2-Methyl-4-nitrophenyl)phosphonic acid?
The molecular weight of (2-Methyl-4-nitrophenyl)phosphonic acid is 217.014 g/mol.
Where can I buy (2-Methyl-4-nitrophenyl)phosphonic acid?
You can request a quote for (2-Methyl-4-nitrophenyl)phosphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Methyl-4-nitrophenyl)phosphonic acid?
Yes, CoreyChem provides custom synthesis services for (2-Methyl-4-nitrophenyl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.