TL;DR: 9,10-Bis(chloromethyl)anthracene (CAS 10387-13-0) is a chemical compound with molecular formula C16H12Cl2 and molecular weight 274.03162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,10-bis(chloromethyl)anthracene
Also Known As: 9,10-Bis(chloromethyl)anthracene, 9,10-Di(chloromethyl)anthracene, 2-Bromoisoniconinonitrile, bischloromethylanthracene, ANTHRACENE, 9,10-BIS(CHLOROMETHYL)-
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H12Cl2 |
| Molecular Weight | 274.03162 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.03162 Da |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CCl)CCl |
| InChIKey | UOSROERWQJTVNU-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 9,10-Bis(chloromethyl)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 9,10-Bis(chloromethyl)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Bis(chloromethyl)anthracene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9,10-Bis(chloromethyl)anthracene is 10387-13-0.
The molecular formula of 9,10-Bis(chloromethyl)anthracene is C16H12Cl2.
The molecular weight of 9,10-Bis(chloromethyl)anthracene is 274.03162 g/mol.
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