TL;DR: 2-[(4-Chloro-3-nitrophenyl)methylideneamino]guanidine (CAS 102632-30-4) is a chemical compound with molecular formula C8H8ClN5O2 and molecular weight 241.03665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chloro-3-nitrophenyl)methylideneamino]guanidine
Also Known As: 2-[(4-chloro-3-nitrophenyl)methylideneamino]guanidine, 2-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]guanidine
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H8ClN5O2 |
| Molecular Weight | 241.03665 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.03665 Da |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
| SMILES | C1=CC(=C(C=C1C=NN=C(N)N)[N+](=O)[O-])Cl |
| InChIKey | AVQVQPZTILIIJJ-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chloro-3-nitrophenyl)methylideneamino]guanidine. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chloro-3-nitrophenyl)methylideneamino]guanidine. Following Lipinski's Rule of Five, 2-[(4-Chloro-3-nitrophenyl)methylideneamino]guanidine has 2 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 2-[(4-Chloro-3-nitrophenyl)methylideneamino]guanidine is 102632-30-4.
The molecular formula of 2-[(4-Chloro-3-nitrophenyl)methylideneamino]guanidine is C8H8ClN5O2.
The molecular weight of 2-[(4-Chloro-3-nitrophenyl)methylideneamino]guanidine is 241.03665 g/mol.
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