TL;DR: 4-[(E)-3-bromoprop-1-enyl]-1,2-difluoro-benzene (CAS 1322049-20-6) is a chemical compound with molecular formula C9H7BrF2 and molecular weight 231.96992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-3-bromoprop-1-enyl]-1,2-difluorobenzene
Also Known As: 4-(3-bromoprop-1-enyl)-1,2-difluoro-benzene, 4-[(E)-3-bromoprop-1-enyl]-1,2-difluorobenzene, 4-(3-bromo-1-propen-1-yl)-1,2-difluoro-benzene, 4-[(E)-3-bromoprop-1-enyl]-1,2-difluoro-benzene
| Molecular Formula | C9H7BrF2 |
| Molecular Weight | 231.96992 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.96992 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| SMILES | C1=CC(=C(C=C1/C=C/CBr)F)F |
| InChIKey | YDOLYRGUEPNXJD-OWOJBTEDSA-N |
The XLogP value of 3.3 indicates that 4-[(E)-3-bromoprop-1-enyl]-1,2-difluoro-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-[(E)-3-bromoprop-1-enyl]-1,2-difluoro-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-3-bromoprop-1-enyl]-1,2-difluoro-benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(E)-3-bromoprop-1-enyl]-1,2-difluoro-benzene is 1322049-20-6.
The molecular formula of 4-[(E)-3-bromoprop-1-enyl]-1,2-difluoro-benzene is C9H7BrF2.
The molecular weight of 4-[(E)-3-bromoprop-1-enyl]-1,2-difluoro-benzene is 231.96992 g/mol.
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