Acetic acid, 2-chloro-, phenylmethyl ester
TL;DR: Acetic acid, 2-chloro-, phenylmethyl ester (CAS 140-18-1) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-chloroacetate
Also Known As: benzyl 2-chloroacetate, Benzyl chloroacetate, Monochloroacetate, Benzyl monochloracetate, Benzylchloroacetate
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 140-18-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCl |
| InChIKey | SOGXBRHOWDEKQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-chloro-, phenylmethyl ester (CAS 140-18-1), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: benzyl 2-chloroacetate.
Chemical Property Profile of Acetic acid, 2-chloro-, phenylmethyl ester
Property Insights of Acetic acid, 2-chloro-, phenylmethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-chloro-, phenylmethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2-chloro-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-chloro-, phenylmethyl 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
Frequently Asked Questions
What is the CAS number of Acetic acid, 2-chloro-, phenylmethyl ester?
The CAS number of Acetic acid, 2-chloro-, phenylmethyl ester is 140-18-1.
What is the molecular formula of Acetic acid, 2-chloro-, phenylmethyl ester?
The molecular formula of Acetic acid, 2-chloro-, phenylmethyl ester is C9H9ClO2.
What is the molecular weight of Acetic acid, 2-chloro-, phenylmethyl ester?
The molecular weight of Acetic acid, 2-chloro-, phenylmethyl ester is 184.03 g/mol.
Where can I buy Acetic acid, 2-chloro-, phenylmethyl ester?
You can request a quote for Acetic acid, 2-chloro-, phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-chloro-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-chloro-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.