3-Chloro-2-(4-nitrophenoxy)toluene
TL;DR: 3-Chloro-2-(4-nitrophenoxy)toluene (CAS 1836-73-3) is a chemical compound with molecular formula C13H10ClNO3 and molecular weight 263.0349 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-methyl-2-(4-nitrophenoxy)benzene
Also Known As: 3-Chloro-2-(4-nitrophenoxy)toluene, 1-chloro-3-methyl-2-(4-nitrophenoxy)benzene, Benzene,1-chloro-3-methyl-2-(4-nitrophenoxy)-, Benzene, 1-chloro-3-methyl-2-(4-nitrophenoxy)-, EINECS 217-403-4
Technical Specifications
| Molecular Formula | C13H10ClNO3 |
| Molecular Weight | 263.0349 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.0349 Da |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
| SMILES | CC1=C(C(=CC=C1)Cl)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NQQNPPIIAMHQFR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2-(4-nitrophenoxy)toluene
Property Insights of 3-Chloro-2-(4-nitrophenoxy)toluene
The XLogP value of 4.3 indicates that 3-Chloro-2-(4-nitrophenoxy)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Chloro-2-(4-nitrophenoxy)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-(4-nitrophenoxy)toluene has 0 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 3-Chloro-2-(4-nitrophenoxy)toluene?
The CAS number of 3-Chloro-2-(4-nitrophenoxy)toluene is 1836-73-3.
What is the molecular formula of 3-Chloro-2-(4-nitrophenoxy)toluene?
The molecular formula of 3-Chloro-2-(4-nitrophenoxy)toluene is C13H10ClNO3.
What is the molecular weight of 3-Chloro-2-(4-nitrophenoxy)toluene?
The molecular weight of 3-Chloro-2-(4-nitrophenoxy)toluene is 263.0349 g/mol.
Where can I buy 3-Chloro-2-(4-nitrophenoxy)toluene?
You can request a quote for 3-Chloro-2-(4-nitrophenoxy)toluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2-(4-nitrophenoxy)toluene?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2-(4-nitrophenoxy)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.