2-Chloroethyl 3-nitro-p-toluate
TL;DR: 2-Chloroethyl 3-nitro-p-toluate (CAS 59383-11-8) is a chemical compound with molecular formula C10H10ClNO4 and molecular weight 243.02983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl 4-methyl-3-nitrobenzoate
Also Known As: 2-Chloroethyl 3-nitro-p-toluate, 2-chloroethyl 4-methyl-3-nitrobenzoate, Ethyl 2-methyl-3-nitro-benzoat, 4-Methyl-3-nitrobenzoic acid 2-chloroethyl ester, QLF52T6EX7
Technical Specifications
| Molecular Formula | C10H10ClNO4 |
| Molecular Weight | 243.02983 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.02983 Da |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OCCCl)[N+](=O)[O-] |
| InChIKey | FHTNGTPVGWEJPG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloroethyl 3-nitro-p-toluate
Property Insights of 2-Chloroethyl 3-nitro-p-toluate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 3-nitro-p-toluate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl 3-nitro-p-toluate. Following Lipinski's Rule of Five, 2-Chloroethyl 3-nitro-p-toluate has 0 hydrogen bond donor(s) and 4 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-Chloroethyl 3-nitro-p-toluate?
The CAS number of 2-Chloroethyl 3-nitro-p-toluate is 59383-11-8.
What is the molecular formula of 2-Chloroethyl 3-nitro-p-toluate?
The molecular formula of 2-Chloroethyl 3-nitro-p-toluate is C10H10ClNO4.
What is the molecular weight of 2-Chloroethyl 3-nitro-p-toluate?
The molecular weight of 2-Chloroethyl 3-nitro-p-toluate is 243.02983 g/mol.
Where can I buy 2-Chloroethyl 3-nitro-p-toluate?
You can request a quote for 2-Chloroethyl 3-nitro-p-toluate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloroethyl 3-nitro-p-toluate?
Yes, CoreyChem provides custom synthesis services for 2-Chloroethyl 3-nitro-p-toluate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.