2-Nitro-3,4,5-trifluorobenzoyl chloride
TL;DR: 2-Nitro-3,4,5-trifluorobenzoyl chloride (CAS 173589-92-9) is a chemical compound with molecular formula C7HClF3NO3 and molecular weight 238.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trifluoro-2-nitrobenzoyl chloride
Also Known As: 2-Nitro-3,4,5-trifluorobenzoyl chloride, 3,4,5-trifluoro-2-nitrobenzoyl chloride, C7HClF3NO3, 2-Nitro-3,4,5-trifluorobenzoylchloride, 3,4,5-trifluoro-2-nitro-benzoyl Chloride
| Molecular Formula | C7HClF3NO3 |
|---|---|
| Molecular Weight | 238.96 g/mol |
| LogP | 2.3911 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.9597 |
| Heavy Atoms | 15 |
| Complexity | 463.2839 |
Chemical Identifiers
| CAS Number | 173589-92-9 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1F)F)F)[N+](=O)[O-])C(=O)Cl |
Product Overview
2-Nitro-3,4,5-trifluorobenzoyl chloride (CAS 173589-92-9), with molecular formula C7HClF3NO3 and molecular weight 238.96 g/mol. IUPAC: 3,4,5-trifluoro-2-nitrobenzoyl chloride.
Chemical Property Profile of 2-Nitro-3,4,5-trifluorobenzoyl chloride
Property Insights of 2-Nitro-3,4,5-trifluorobenzoyl chloride
The XLogP value of 2.3911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-3,4,5-trifluorobenzoyl chloride. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-3,4,5-trifluorobenzoyl chloride. Following Lipinski's Rule of Five, 2-Nitro-3,4,5-trifluorobenzoyl chloride has 0 hydrogen bond donor(s) and 3 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-Nitro-3,4,5-trifluorobenzoyl chloride?
The CAS number of 2-Nitro-3,4,5-trifluorobenzoyl chloride is 173589-92-9.
What is the molecular formula of 2-Nitro-3,4,5-trifluorobenzoyl chloride?
The molecular formula of 2-Nitro-3,4,5-trifluorobenzoyl chloride is C7HClF3NO3.
What is the molecular weight of 2-Nitro-3,4,5-trifluorobenzoyl chloride?
The molecular weight of 2-Nitro-3,4,5-trifluorobenzoyl chloride is 238.96 g/mol.
Where can I buy 2-Nitro-3,4,5-trifluorobenzoyl chloride?
You can request a quote for 2-Nitro-3,4,5-trifluorobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-3,4,5-trifluorobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-3,4,5-trifluorobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.