TL;DR: Dibenz(a,h)anthracene, 3-nitro- (CAS 141511-31-1) is a chemical compound with molecular formula C22H13NO2 and molecular weight 323.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitronaphtho[1,2-b]phenanthrene
Also Known As: 3-Nitrodibenzanthracene, Dibenz(a,h)anthracene, 3-nitro-, 3-Nitrodibenz(a,h)anthracene, Mycoplasma removal agent, 3-nitrobenzo[k]tetraphene
| Molecular Formula | C22H13NO2 |
| Molecular Weight | 323.09464 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 323.09464 Da |
| Heavy Atoms | 25 |
| Complexity | 515.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)C=CC(=C5)[N+](=O)[O-] |
| InChIKey | PJRCZCIGJNIRQK-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that Dibenz(a,h)anthracene, 3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Dibenz(a,h)anthracene, 3-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenz(a,h)anthracene, 3-nitro- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibenz(a,h)anthracene, 3-nitro- is 141511-31-1.
The molecular formula of Dibenz(a,h)anthracene, 3-nitro- is C22H13NO2.
The molecular weight of Dibenz(a,h)anthracene, 3-nitro- is 323.09464 g/mol.
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