TL;DR: BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL- (CAS 67639-45-6) is a chemical compound with molecular formula C20H14ClF and molecular weight 308.0768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(chloromethyl)-5-fluoro-12-methylbenzo[a]anthracene
Also Known As: 5-Fluoro-7-chloromethyl-12-methylbenz(a)anthracene, 7-(Chloromethyl)-5-fluoro-12-methylbenz(a)anthracene, BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL-, 7-(chloromethyl)-5-fluoro-12-methyltetraphene, 7-(chloromethyl)-5-fluoro-12-methylbenzo[a]anthracene
| Molecular Formula | C20H14ClF |
| Molecular Weight | 308.0768 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.0768 Da |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
| SMILES | CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)CCl)F |
| InChIKey | XDWPSGQUCMCJCO-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL- is 67639-45-6.
The molecular formula of BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL- is C20H14ClF.
The molecular weight of BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL- is 308.0768 g/mol.
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