![N-[(2-chlorophenyl)methyl]-2-nitroaniline structure](/static/products/1269/126991-21-7.webp)
N-[(2-chlorophenyl)methyl]-2-nitroaniline
TL;DR: N-[(2-chlorophenyl)methyl]-2-nitroaniline (CAS 126991-21-7) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.0509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-chlorophenyl)methyl]-2-nitroaniline
Also Known As: N-[(2-chlorophenyl)methyl]-2-nitroaniline, N-(2-chlorobenzyl)-2-nitroaniline, 5F-422S, (2-Chloro-benzyl)-(2-nitro-phenyl)-amine, N-[(2-chlorophenyl)methyl]-2-nitro-aniline
Technical Specifications
| Molecular Formula | C13H11ClN2O2 |
| Molecular Weight | 262.0509 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0509 Da |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
| SMILES | C1=CC=C(C(=C1)CNC2=CC=CC=C2[N+](=O)[O-])Cl |
| InChIKey | DRQPRDPGSQDAMA-UHFFFAOYSA-N |
Chemical Property Profile of N-[(2-chlorophenyl)methyl]-2-nitroaniline
Property Insights of N-[(2-chlorophenyl)methyl]-2-nitroaniline
The XLogP value of 4.4 indicates that N-[(2-chlorophenyl)methyl]-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, N-[(2-chlorophenyl)methyl]-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2-chlorophenyl)methyl]-2-nitroaniline 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 N-[(2-chlorophenyl)methyl]-2-nitroaniline?
The CAS number of N-[(2-chlorophenyl)methyl]-2-nitroaniline is 126991-21-7.
What is the molecular formula of N-[(2-chlorophenyl)methyl]-2-nitroaniline?
The molecular formula of N-[(2-chlorophenyl)methyl]-2-nitroaniline is C13H11ClN2O2.
What is the molecular weight of N-[(2-chlorophenyl)methyl]-2-nitroaniline?
The molecular weight of N-[(2-chlorophenyl)methyl]-2-nitroaniline is 262.0509 g/mol.
Where can I buy N-[(2-chlorophenyl)methyl]-2-nitroaniline?
You can request a quote for N-[(2-chlorophenyl)methyl]-2-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[(2-chlorophenyl)methyl]-2-nitroaniline?
Yes, CoreyChem provides custom synthesis services for N-[(2-chlorophenyl)methyl]-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.