Benzoic acid, 4-chloro-2-methyl-, ethyl ester
TL;DR: Benzoic acid, 4-chloro-2-methyl-, ethyl ester (CAS 15393-58-5) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-chloro-2-methylbenzoate
Also Known As: Ethyl 4-chloro-2-methylbenzoate, ethyl 5-chloro-o-toluate, Ethyl 4-chloro-2-methyl-benzoate, Ethyl4-chloro-2-methylbenzoate, Benzoic acid, 4-chloro-2-methyl-, ethyl ester
Technical Specifications
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.04475 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 Da |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
| SMILES | CCOC(=O)C1=C(C=C(C=C1)Cl)C |
| InChIKey | NLTONRXIPNPAGV-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-chloro-2-methyl-, ethyl ester
Property Insights of Benzoic acid, 4-chloro-2-methyl-, ethyl ester
The XLogP value of 3.1 indicates that Benzoic acid, 4-chloro-2-methyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 4-chloro-2-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-2-methyl-, ethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-chloro-2-methyl-, ethyl ester?
The CAS number of Benzoic acid, 4-chloro-2-methyl-, ethyl ester is 15393-58-5.
What is the molecular formula of Benzoic acid, 4-chloro-2-methyl-, ethyl ester?
The molecular formula of Benzoic acid, 4-chloro-2-methyl-, ethyl ester is C10H11ClO2.
What is the molecular weight of Benzoic acid, 4-chloro-2-methyl-, ethyl ester?
The molecular weight of Benzoic acid, 4-chloro-2-methyl-, ethyl ester is 198.04475 g/mol.
Where can I buy Benzoic acid, 4-chloro-2-methyl-, ethyl ester?
You can request a quote for Benzoic acid, 4-chloro-2-methyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-chloro-2-methyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-chloro-2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.