TL;DR: Peroxide, chlorodifluoroacetyl nitro (CAS 157043-72-6) is a chemical compound with molecular formula C2ClF2NO5 and molecular weight 190.94331 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
nitro 2-chloro-2,2-difluoroethaneperoxoate
Also Known As: Peroxide, chlorodifluoroacetyl nitro, C2ClF2NO5, Chlorodifluoroacetyl peroxynitrate, Peroxide,chlorodifluoroacetyl nitro, nitro 2-chloro-2,2-difluoroethaneperoxoate
| Molecular Formula | C2ClF2NO5 |
| Molecular Weight | 190.94331 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.94331 Da |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
| SMILES | C(=O)(C(F)(F)Cl)OO[N+](=O)[O-] |
| InChIKey | QOIJNUMOQUWVKB-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Peroxide, chlorodifluoroacetyl nitro. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Peroxide, chlorodifluoroacetyl nitro. Following Lipinski's Rule of Five, Peroxide, chlorodifluoroacetyl nitro has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Peroxide, chlorodifluoroacetyl nitro is 157043-72-6.
The molecular formula of Peroxide, chlorodifluoroacetyl nitro is C2ClF2NO5.
The molecular weight of Peroxide, chlorodifluoroacetyl nitro is 190.94331 g/mol.
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