2-Chloro-1-(3-nitrophenyl)ethyl acetate
TL;DR: 2-Chloro-1-(3-nitrophenyl)ethyl acetate (CAS 103854-77-9) is a chemical compound with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-1-(3-nitrophenyl)ethyl] acetate
Also Known As: 2-chloro-1-(3-nitrophenyl)ethyl acetate, [2-chloro-1-(3-nitrophenyl)ethyl] acetate, m-nitrophenylchloromethylcarbinol acetate, UPCMLD0ENAT0400-1941:001, 2-CHLORO-1-(3-NITROPHENYL)ETHYLACETATE
| Molecular Formula | C10H10ClNO4 |
|---|---|
| Molecular Weight | 243.03 g/mol |
| LogP | 2.4378 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.02983 |
| Heavy Atoms | 16 |
| Complexity | 407.56042 |
Chemical Identifiers
| CAS Number | 103854-77-9 |
|---|---|
| SMILES | CC(=O)OC(CCl)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
2-Chloro-1-(3-nitrophenyl)ethyl acetate (CAS 103854-77-9), with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol. IUPAC: [2-chloro-1-(3-nitrophenyl)ethyl] acetate.
Chemical Property Profile of 2-Chloro-1-(3-nitrophenyl)ethyl acetate
Property Insights of 2-Chloro-1-(3-nitrophenyl)ethyl acetate
The XLogP value of 2.4378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(3-nitrophenyl)ethyl acetate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-1-(3-nitrophenyl)ethyl acetate. Following Lipinski's Rule of Five, 2-Chloro-1-(3-nitrophenyl)ethyl acetate 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
Frequently Asked Questions
What is the CAS number of 2-Chloro-1-(3-nitrophenyl)ethyl acetate?
The CAS number of 2-Chloro-1-(3-nitrophenyl)ethyl acetate is 103854-77-9.
What is the molecular formula of 2-Chloro-1-(3-nitrophenyl)ethyl acetate?
The molecular formula of 2-Chloro-1-(3-nitrophenyl)ethyl acetate is C10H10ClNO4.
What is the molecular weight of 2-Chloro-1-(3-nitrophenyl)ethyl acetate?
The molecular weight of 2-Chloro-1-(3-nitrophenyl)ethyl acetate is 243.03 g/mol.
Where can I buy 2-Chloro-1-(3-nitrophenyl)ethyl acetate?
You can request a quote for 2-Chloro-1-(3-nitrophenyl)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(3-nitrophenyl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(3-nitrophenyl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.