![3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid structure](/static/products/1097/1097000-93-5.webp)
3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid
TL;DR: 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid (CAS 1097000-93-5) is a chemical compound with molecular formula C10H7F2NO5 and molecular weight 259.02924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid
Also Known As: 3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid, 2-(Difluoromethoxy)-5-(nitro)cinnamic acid, (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid, (2E)-3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid, 3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enoicacid
Technical Specifications
| Molecular Formula | C10H7F2NO5 |
| Molecular Weight | 259.02924 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.02924 Da |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])/C=C/C(=O)O)OC(F)F |
| InChIKey | ZVXIUSJYFBEUPM-DAFODLJHSA-N |
Chemical Property Profile of 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid
Property Insights of 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid?
The CAS number of 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid is 1097000-93-5.
What is the molecular formula of 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid?
The molecular formula of 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid is C10H7F2NO5.
What is the molecular weight of 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid?
The molecular weight of 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid is 259.02924 g/mol.
Where can I buy 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid?
You can request a quote for 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[2-(Difluoromethoxy)-5-nitrophenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.