TL;DR: 2-(3,4-Dichlorophenyl)-5-(2-nitroethenyl)furan (CAS 1297536-44-7) is a chemical compound with molecular formula C12H7Cl2NO3 and molecular weight 282.9803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dichlorophenyl)-5-(2-nitroethenyl)furan
Also Known As: 2-(3,4-Dichlorophenyl)-5-(2-nitrovinyl)furan, 2-(3,4-dichlorophenyl)-5-(2-nitroethenyl)furan, 2-(3,4-Dichloro-phenyl)-5-(2-nitro-vinyl)-furan
| Molecular Formula | C12H7Cl2NO3 |
| Molecular Weight | 282.9803 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.9803 Da |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
| SMILES | C1=CC(=C(C=C1C2=CC=C(O2)C=C[N+](=O)[O-])Cl)Cl |
| InChIKey | FSMFODSUZBJHRZ-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2-(3,4-Dichlorophenyl)-5-(2-nitroethenyl)furan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 2-(3,4-Dichlorophenyl)-5-(2-nitroethenyl)furan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dichlorophenyl)-5-(2-nitroethenyl)furan has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3,4-Dichlorophenyl)-5-(2-nitroethenyl)furan is 1297536-44-7.
The molecular formula of 2-(3,4-Dichlorophenyl)-5-(2-nitroethenyl)furan is C12H7Cl2NO3.
The molecular weight of 2-(3,4-Dichlorophenyl)-5-(2-nitroethenyl)furan is 282.9803 g/mol.
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