TL;DR: 2-Bromo-3-(3-chloro-5-fluorophenyl)-1-propene (CAS 842140-29-8) is a chemical compound with molecular formula C9H7BrClF and molecular weight 247.94037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bromoprop-2-enyl)-3-chloro-5-fluorobenzene
Also Known As: 2-BROMO-3-(3-CHLORO-5-FLUOROPHENYL)-1-PROPENE, 1-(2-bromoprop-2-enyl)-3-chloro-5-fluorobenzene, 2-BROMO-3- -1-PROPENE, 1-(2-Bromoallyl)-3-chloro-5-fluorobenzene, 1-(2-Bromoprop-2-en-1-yl)-3-chloro-5-fluorobenzene
| Molecular Formula | C9H7BrClF |
| Molecular Weight | 247.94037 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.94037 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | C=C(CC1=CC(=CC(=C1)Cl)F)Br |
| InChIKey | UXMYCWZWUMAYQY-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2-Bromo-3-(3-chloro-5-fluorophenyl)-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, 2-Bromo-3-(3-chloro-5-fluorophenyl)-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-(3-chloro-5-fluorophenyl)-1-propene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Bromo-3-(3-chloro-5-fluorophenyl)-1-propene is 842140-29-8.
The molecular formula of 2-Bromo-3-(3-chloro-5-fluorophenyl)-1-propene is C9H7BrClF.
The molecular weight of 2-Bromo-3-(3-chloro-5-fluorophenyl)-1-propene is 247.94037 g/mol.
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