Acetic acid, difluoronitro-, methyl ester
TL;DR: Acetic acid, difluoronitro-, methyl ester (CAS 428-13-7) is a chemical compound with molecular formula C3H3F2NO4 and molecular weight 155.00302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,2-difluoro-2-nitroacetate
Also Known As: Methyl difluoronitroacetate, methyl difluoro(nitro)acetate, methyl 2,2-difluoro-2-nitroacetate, Difluoronitroaceticacidmethylester, Difluoronitroacetic acid methyl ester
Technical Specifications
| Molecular Formula | C3H3F2NO4 |
| Molecular Weight | 155.00302 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.00302 Da |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
| SMILES | COC(=O)C([N+](=O)[O-])(F)F |
| InChIKey | WTHNVDSODCAINI-UHFFFAOYSA-N |
Product Description
Applications: Acetic acid, difluoronitro-, methyl ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Acetic acid, difluoronitro-, methyl ester is a fine chemical identified by CAS number 428-13-7 and the molecular formula C3H3F2NO4 and a molecular weight of 155 g/mol. Synonyms include Methyl difluoronitroacetate and methyl difluoro(nitro)acetate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Acetic acid, difluoronitro-, methyl ester
Property Insights of Acetic acid, difluoronitro-, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, difluoronitro-, methyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, difluoronitro-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, difluoronitro-, methyl ester has 0 hydrogen bond donor(s) and 6 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, difluoronitro-, methyl ester?
The CAS number of Acetic acid, difluoronitro-, methyl ester is 428-13-7.
What is the molecular formula of Acetic acid, difluoronitro-, methyl ester?
The molecular formula of Acetic acid, difluoronitro-, methyl ester is C3H3F2NO4.
What is the molecular weight of Acetic acid, difluoronitro-, methyl ester?
The molecular weight of Acetic acid, difluoronitro-, methyl ester is 155.00302 g/mol.
What are the applications of Acetic acid, difluoronitro-, methyl ester?
Acetic acid, difluoronitro-, methyl ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation...
Where can I buy Acetic acid, difluoronitro-, methyl ester?
You can request a quote for Acetic acid, difluoronitro-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, difluoronitro-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, difluoronitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.