TL;DR: 1,1,2,3-Tetrachloro-1-propene (CAS 10436-39-2) is a chemical compound with molecular formula C3H2Cl4 and molecular weight 177.89107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,2,3-tetrachloroprop-1-ene
Also Known As: Tetrachloropropene, 1,1,2,3-TETRACHLOROPROPENE, 1,1,2,3-tetrachloroprop-1-ene, Tetrachloro-1-propene, tetrachloropropylene
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H2Cl4 |
| Molecular Weight | 177.89107 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.8881 Da |
| Heavy Atoms | 7 |
| Complexity | 80.0 |
| Vapor Pressure | 2.67 [mmHg] |
| SMILES | C(C(=C(Cl)Cl)Cl)Cl |
| InChIKey | UMGQVBVEWTXECF-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1,1,2,3-Tetrachloro-1-propene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2,3-Tetrachloro-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,3-Tetrachloro-1-propene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,1,2,3-Tetrachloro-1-propene is 10436-39-2.
The molecular formula of 1,1,2,3-Tetrachloro-1-propene is C3H2Cl4.
The molecular weight of 1,1,2,3-Tetrachloro-1-propene is 177.89107 g/mol.
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