1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene
TL;DR: 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene (CAS 156523-97-6) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene
Also Known As: 1-(2-chlorophenyl)-2-nitro-1-(propargyloxy)ethane, 1-chloro-2-(2-nitro-1-prop-2-ynoxy-ethyl)benzene
Technical Specifications
| Molecular Formula | C11H10ClNO3 |
| Molecular Weight | 239.03493 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.03493 Da |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
| SMILES | C#CCOC(C[N+](=O)[O-])C1=CC=CC=C1Cl |
| InChIKey | AIXMFAHUBBTBIQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene
Property Insights of 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene 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 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene?
The CAS number of 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene is 156523-97-6.
What is the molecular formula of 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene?
The molecular formula of 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene is C11H10ClNO3.
What is the molecular weight of 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene?
The molecular weight of 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene is 239.03493 g/mol.
Where can I buy 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene?
You can request a quote for 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-2-(2-nitro-1-prop-2-ynoxyethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.