Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-
TL;DR: Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)- (CAS 13350-16-8) is a chemical compound with molecular formula C9H6ClNO3 and molecular weight 211.00362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-nitro-1-prop-2-ynoxybenzene
Also Known As: Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-, 4-chloro-2-nitro-1-prop-2-ynoxybenzene, AI3-28708, 4-chloro-2-nitro-1-prop-2-ynoxy-benzene, 4-Chloro-2-nitrophenyl propargyl ether
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6ClNO3 |
| Molecular Weight | 211.00362 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.00362 Da |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
| SMILES | C#CCOC1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | MCBMNHUQBBSTKY-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-
Property Insights of Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)- 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 Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-?
The CAS number of Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)- is 13350-16-8.
What is the molecular formula of Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-?
The molecular formula of Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)- is C9H6ClNO3.
What is the molecular weight of Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-?
The molecular weight of Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)- is 211.00362 g/mol.
Where can I buy Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-?
You can request a quote for Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.