TL;DR: 2-Chloroacrolein 2,4-dinitrophenylhydrazone (CAS 18748-42-0) is a chemical compound with molecular formula C9H7ClN4O4 and molecular weight 270.0156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chloroprop-2-enylideneamino)-2,4-dinitroaniline
Also Known As: C9HClN4O4, 2-Chloropropenaldehyde 2,4-dinitrophenylhydrazone, 2-chloroacrolein 2,4-dinitrophenylhydrazone, 2-Propenal, 2-chloro-, (2,4-dinitrophenyl)hydrazone, ACROLEIN, 2-CHLORO-, 2,4-DINITROPHENYLHYDRAZONE
| Molecular Formula | C9H7ClN4O4 |
| Molecular Weight | 270.0156 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0156 Da |
| Heavy Atoms | 18 |
| Complexity | 376.0 |
| SMILES | C=C(C=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | VPOJIHJIEOKEHD-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroacrolein 2,4-dinitrophenylhydrazone. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroacrolein 2,4-dinitrophenylhydrazone. Following Lipinski's Rule of Five, 2-Chloroacrolein 2,4-dinitrophenylhydrazone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Chloroacrolein 2,4-dinitrophenylhydrazone is 18748-42-0.
The molecular formula of 2-Chloroacrolein 2,4-dinitrophenylhydrazone is C9H7ClN4O4.
The molecular weight of 2-Chloroacrolein 2,4-dinitrophenylhydrazone is 270.0156 g/mol.
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