(3-(Chlorocarbonyl)-2-methylphenyl)acetate
TL;DR: (3-(Chlorocarbonyl)-2-methylphenyl)acetate (CAS 167678-46-8) is a chemical compound with molecular formula C10H9ClO3 and molecular weight 212.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-carbonochloridoyl-2-methylphenyl) acetate
Also Known As: 3-Acetoxy-2-methylbenzoyl Chloride, 3-(Chlorocarbonyl)-2-methylphenyl Acetate, BENZOYL CHLORIDE, 3-(ACETYLOXY)-2-METHYL-, 3-Acetoxy-2-methylbenzoylchloride, (3-(Chlorocarbonyl)-2-methylphenyl)acetate
Technical Specifications
| Molecular Formula | C10H9ClO3 |
| Molecular Weight | 212.02402 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.02402 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | CC1=C(C=CC=C1OC(=O)C)C(=O)Cl |
| InChIKey | COLDUSGLGQXXEJ-UHFFFAOYSA-N |
Chemical Property Profile of (3-(Chlorocarbonyl)-2-methylphenyl)acetate
Property Insights of (3-(Chlorocarbonyl)-2-methylphenyl)acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-(Chlorocarbonyl)-2-methylphenyl)acetate. With a topological polar surface area (TPSA) of 43.4 Ų, (3-(Chlorocarbonyl)-2-methylphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-(Chlorocarbonyl)-2-methylphenyl)acetate 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 (3-(Chlorocarbonyl)-2-methylphenyl)acetate?
The CAS number of (3-(Chlorocarbonyl)-2-methylphenyl)acetate is 167678-46-8.
What is the molecular formula of (3-(Chlorocarbonyl)-2-methylphenyl)acetate?
The molecular formula of (3-(Chlorocarbonyl)-2-methylphenyl)acetate is C10H9ClO3.
What is the molecular weight of (3-(Chlorocarbonyl)-2-methylphenyl)acetate?
The molecular weight of (3-(Chlorocarbonyl)-2-methylphenyl)acetate is 212.02402 g/mol.
Where can I buy (3-(Chlorocarbonyl)-2-methylphenyl)acetate?
You can request a quote for (3-(Chlorocarbonyl)-2-methylphenyl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-(Chlorocarbonyl)-2-methylphenyl)acetate?
Yes, CoreyChem provides custom synthesis services for (3-(Chlorocarbonyl)-2-methylphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.