氯乙酸与硝酸的酸酐
TL;DR: 氯乙酸与硝酸的酸酐 (CAS 107616-70-6) is a chemical compound with molecular formula C2H2ClNO4 and molecular weight 138.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯乙酸与硝酸的酸酐
nitro 2-chloroacetate
Also Known As: Nitro 2-chloroacetate, chloroacetyl nitrate, Acetic acid, chloro-, anhydride with nitric acid, Acetic acid,chloro-,anhydride with nitric acid, trans-7,8-Dihydroxy-7,8-dihydro-1-isopropylbenzo(a)pyrene
| Molecular Formula | C2H2ClNO4 |
|---|---|
| Molecular Weight | 138.97 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.96724 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 107616-70-6 |
|---|---|
| SMILES | C(C(=O)O[N+](=O)[O-])Cl |
| InChIKey | JDCZQIQRVQZKCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯乙酸与硝酸的酸酐 (CAS 107616-70-6), with molecular formula C2H2ClNO4 and molecular weight 138.97 g/mol. IUPAC: nitro 2-chloroacetate.
Chemical Property Profile of 氯乙酸与硝酸的酸酐
Property Insights of 氯乙酸与硝酸的酸酐
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯乙酸与硝酸的酸酐. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯乙酸与硝酸的酸酐. Following Lipinski's Rule of Five, 氯乙酸与硝酸的酸酐 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 氯乙酸与硝酸的酸酐?
The CAS number of 氯乙酸与硝酸的酸酐 is 107616-70-6.
What is the molecular formula of 氯乙酸与硝酸的酸酐?
The molecular formula of 氯乙酸与硝酸的酸酐 is C2H2ClNO4.
What is the molecular weight of 氯乙酸与硝酸的酸酐?
The molecular weight of 氯乙酸与硝酸的酸酐 is 138.97 g/mol.
Where can I buy 氯乙酸与硝酸的酸酐?
You can request a quote for 氯乙酸与硝酸的酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯乙酸与硝酸的酸酐?
Yes, KEHONG BIO provides custom synthesis services for 氯乙酸与硝酸的酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.