2-Chloro-6-methylbenzoic acid
TL;DR: 2-Chloro-6-methylbenzoic acid (CAS 21327-86-6) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-6-methylbenzoic acid
Also Known As: 2-Chloro-6-methylbenzoic acid, 6-Chloro-o-toluic acid, 2-Aminononadecane, 2-chloro-6-methyl-benzoic acid, 6-chloro-o-toluicacid
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7ClO2 |
| Molecular Weight | 170.01346 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.01346 Da |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| SMILES | CC1=C(C(=CC=C1)Cl)C(=O)O |
| InChIKey | CEFMMQYDPGCYMG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-6-methylbenzoic acid
Property Insights of 2-Chloro-6-methylbenzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-methylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chloro-6-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-methylbenzoic acid has 1 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 2-Chloro-6-methylbenzoic acid?
The CAS number of 2-Chloro-6-methylbenzoic acid is 21327-86-6.
What is the molecular formula of 2-Chloro-6-methylbenzoic acid?
The molecular formula of 2-Chloro-6-methylbenzoic acid is C8H7ClO2.
What is the molecular weight of 2-Chloro-6-methylbenzoic acid?
The molecular weight of 2-Chloro-6-methylbenzoic acid is 170.01346 g/mol.
Where can I buy 2-Chloro-6-methylbenzoic acid?
You can request a quote for 2-Chloro-6-methylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-6-methylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-6-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.