Benzo(a)pyrene-6-carbonitrile, 3-nitro-
TL;DR: Benzo(a)pyrene-6-carbonitrile, 3-nitro- (CAS 143265-29-6) is a chemical compound with molecular formula C21H10N2O2 and molecular weight 322.07422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitrobenzo[a]pyrene-6-carbonitrile
Also Known As: 3-Nitro-6-cyanobenzo(a)pyrene, Benzo(a)pyrene-6-carbonitrile, 3-nitro-, 3-Nitrobenzo(a)pyrene-6-carbonitrile, 3-nitrobenzo[a]pyrene-6-carbonitrile, 3-nitrobenzo[pqr]tetraphene-6-carbonitrile
Technical Specifications
| Molecular Formula | C21H10N2O2 |
| Molecular Weight | 322.07422 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.07422 Da |
| Heavy Atoms | 25 |
| Complexity | 605.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2C#N)C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-] |
| InChIKey | DIFBFDGFCNZAOW-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(a)pyrene-6-carbonitrile, 3-nitro-
Property Insights of Benzo(a)pyrene-6-carbonitrile, 3-nitro-
The XLogP value of 6.0 indicates that Benzo(a)pyrene-6-carbonitrile, 3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyrene-6-carbonitrile, 3-nitro-. Following Lipinski's Rule of Five, Benzo(a)pyrene-6-carbonitrile, 3-nitro- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzo(a)pyrene-6-carbonitrile, 3-nitro-?
The CAS number of Benzo(a)pyrene-6-carbonitrile, 3-nitro- is 143265-29-6.
What is the molecular formula of Benzo(a)pyrene-6-carbonitrile, 3-nitro-?
The molecular formula of Benzo(a)pyrene-6-carbonitrile, 3-nitro- is C21H10N2O2.
What is the molecular weight of Benzo(a)pyrene-6-carbonitrile, 3-nitro-?
The molecular weight of Benzo(a)pyrene-6-carbonitrile, 3-nitro- is 322.07422 g/mol.
Where can I buy Benzo(a)pyrene-6-carbonitrile, 3-nitro-?
You can request a quote for Benzo(a)pyrene-6-carbonitrile, 3-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(a)pyrene-6-carbonitrile, 3-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzo(a)pyrene-6-carbonitrile, 3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.