7-Nitrobenz(a)anthracene
TL;DR: 7-Nitrobenz(a)anthracene (CAS 20268-51-3) is a chemical compound with molecular formula C18H11NO2 and molecular weight 273.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-nitrobenzo[a]anthracene
Also Known As: 7-Nitrobenz[a]anthracene, 7-nitrotetraphene, 7-Nitrobenzanthracene, 7-NITROBENZ(A)ANTHRACENE, 7-Nitrobenzo[a]anthracene
Technical Specifications
| Molecular Formula | C18H11NO2 |
| Molecular Weight | 273.07898 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.07898 Da |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)[N+](=O)[O-] |
| InChIKey | KOPVBVBUIYTJBG-UHFFFAOYSA-N |
Chemical Property Profile of 7-Nitrobenz(a)anthracene
Property Insights of 7-Nitrobenz(a)anthracene
The XLogP value of 6.0 indicates that 7-Nitrobenz(a)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 7-Nitrobenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Nitrobenz(a)anthracene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-Nitrobenz(a)anthracene?
The CAS number of 7-Nitrobenz(a)anthracene is 20268-51-3.
What is the molecular formula of 7-Nitrobenz(a)anthracene?
The molecular formula of 7-Nitrobenz(a)anthracene is C18H11NO2.
What is the molecular weight of 7-Nitrobenz(a)anthracene?
The molecular weight of 7-Nitrobenz(a)anthracene is 273.07898 g/mol.
Where can I buy 7-Nitrobenz(a)anthracene?
You can request a quote for 7-Nitrobenz(a)anthracene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Nitrobenz(a)anthracene?
Yes, CoreyChem provides custom synthesis services for 7-Nitrobenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.