TL;DR: 1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione (CAS 155873-64-6) is a chemical compound with molecular formula C10H5ClN2O4 and molecular weight 251.99379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chloro-3-nitrophenyl)pyrrole-2,5-dione
Also Known As: 1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione, 1-(4-chloro-3-nitrophenyl)pyrrole-2,5-dione, 1-(4-Chloro-3-nitro-phenyl)-pyrrole-2,5-dione, 1-(4-chloro-3-nitrophenyl)-1H-pyrrole-2,5-dione, 1-(4-chloro-3-nitrophenyl)azoline-2,5-dione
| Molecular Formula | C10H5ClN2O4 |
| Molecular Weight | 251.99379 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.99379 Da |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
| SMILES | C1=CC(=C(C=C1N2C(=O)C=CC2=O)[N+](=O)[O-])Cl |
| InChIKey | DMLNDCQNBCAVPN-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione. Following Lipinski's Rule of Five, 1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione is 155873-64-6.
The molecular formula of 1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione is C10H5ClN2O4.
The molecular weight of 1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione is 251.99379 g/mol.
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