Acetic acid, (2,4-dichloro-6-nitrophenyl) ester
TL;DR: Acetic acid, (2,4-dichloro-6-nitrophenyl) ester (CAS 37169-10-1) is a chemical compound with molecular formula C8H5Cl2NO4 and molecular weight 248.95956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,4-dichloro-6-nitrophenyl) acetate
Also Known As: 2,4-Dichloro-6-nitrophenol acetate, 2,4-dichloro-6-nitrophenyl acetate, Phenol, 2,4-dichloro-6-nitro-, acetate, (2,4-dichloro-6-nitrophenyl) acetate, 2,4-Dichloro-6-nitrophenyl=acetate
Technical Specifications
| Molecular Formula | C8H5Cl2NO4 |
| Molecular Weight | 248.95956 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.95956 Da |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
| SMILES | CC(=O)OC1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] |
| InChIKey | XVJWRWTVEVZQGG-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, (2,4-dichloro-6-nitrophenyl) ester
Property Insights of Acetic acid, (2,4-dichloro-6-nitrophenyl) ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (2,4-dichloro-6-nitrophenyl) ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (2,4-dichloro-6-nitrophenyl) ester. Following Lipinski's Rule of Five, Acetic acid, (2,4-dichloro-6-nitrophenyl) ester 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 Acetic acid, (2,4-dichloro-6-nitrophenyl) ester?
The CAS number of Acetic acid, (2,4-dichloro-6-nitrophenyl) ester is 37169-10-1.
What is the molecular formula of Acetic acid, (2,4-dichloro-6-nitrophenyl) ester?
The molecular formula of Acetic acid, (2,4-dichloro-6-nitrophenyl) ester is C8H5Cl2NO4.
What is the molecular weight of Acetic acid, (2,4-dichloro-6-nitrophenyl) ester?
The molecular weight of Acetic acid, (2,4-dichloro-6-nitrophenyl) ester is 248.95956 g/mol.
Where can I buy Acetic acid, (2,4-dichloro-6-nitrophenyl) ester?
You can request a quote for Acetic acid, (2,4-dichloro-6-nitrophenyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, (2,4-dichloro-6-nitrophenyl) ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, (2,4-dichloro-6-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.