![1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole structure](/static/products/1556/155631-68-8.webp)
1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole
TL;DR: 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole (CAS 155631-68-8) is a chemical compound with molecular formula C13H10N4O2 and molecular weight 254.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-nitrophenyl)methyl]benzotriazole
Also Known As: starbld0005483, 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole, 1-[(2-nitrophenyl)methyl]benzotriazole, 1-(2-Nitrobenzyl)-1H-benzotriazole, 1-(2-Nitrobenzyl)-1H-benzo[d][1,2,3]triazole
Technical Specifications
| Molecular Formula | C13H10N4O2 |
| Molecular Weight | 254.08037 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.08037 Da |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
| SMILES | C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=N2)[N+](=O)[O-] |
| InChIKey | VPYJATNURUKOLZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole
Property Insights of 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole?
The CAS number of 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole is 155631-68-8.
What is the molecular formula of 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole?
The molecular formula of 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole is C13H10N4O2.
What is the molecular weight of 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole?
The molecular weight of 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole is 254.08037 g/mol.
Where can I buy 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole?
You can request a quote for 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.