TL;DR: Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-) (1:1) (CAS 68400-43-1) is a chemical compound with molecular formula C8H9ClF6N3P and molecular weight 327.0127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-(dimethylamino)benzenediazonium hexafluorophosphate
Also Known As: 3-Chloro-4-(dimethylamino)benzenediazonium hexafluorophosphate, 4-(Dimethylamino)-3-chlorobenzenediazonium hexafluorophosphate, p-Diazonio-o-chloro-N,N-dimethylaniline hexafluorophosphate, Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-), 3-chloro-4- benzenediazoniumhexafluorophosphate
| Molecular Formula | C8H9ClF6N3P |
| Molecular Weight | 327.0127 g/mol |
| XLogP | 6.27 |
| Topological Polar Surface Area (TPSA) | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.0127 Da |
| Heavy Atoms | 19 |
| Complexity | 258.0 |
| SMILES | CN(C)C1=C(C=C(C=C1)[N+]#N)Cl.F[P-](F)(F)(F)(F)F |
| InChIKey | HJLAYYLOWPGISJ-UHFFFAOYSA-N |
The XLogP value of 6.27 indicates that Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-) (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-) (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-) (1:1) has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-) (1:1) is 68400-43-1.
The molecular formula of Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-) (1:1) is C8H9ClF6N3P.
The molecular weight of Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-) (1:1) is 327.0127 g/mol.
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