TL;DR: Propanoic acid, 2-methyl-2-nitro-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)- (CAS 133662-16-5) is a chemical compound with molecular formula C12H14ClN3O3 and molecular weight 283.07236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-methyl-2-nitropropanamide
Also Known As: Propanoic acid, 2-methyl-2-nitro-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-, (E)-2-Methyl-2-nitropropanoic acid (1-(2-chlorophenyl)ethylidene)hydrazide, N -(2-Chloro-alpha-methylbenzylidene)dimethylnitroacetohydrazide, N'-[1-(2-chlorophenyl)ethylidene]-2-methyl-2-nitropropanehydrazide, BRN 4261355
| Molecular Formula | C12H14ClN3O3 |
| Molecular Weight | 283.07236 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.07236 Da |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
| SMILES | C/C(=N\NC(=O)C(C)(C)[N+](=O)[O-])/C1=CC=CC=C1Cl |
| InChIKey | CBFSHOUFXUISSA-RIYZIHGNSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-methyl-2-nitro-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2-methyl-2-nitro-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-2-nitro-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)- has 1 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 Propanoic acid, 2-methyl-2-nitro-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)- is 133662-16-5.
The molecular formula of Propanoic acid, 2-methyl-2-nitro-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)- is C12H14ClN3O3.
The molecular weight of Propanoic acid, 2-methyl-2-nitro-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)- is 283.07236 g/mol.
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