![[(E)-1-nitroethylideneamino] benzoate structure](/static/products/106/10603-11-9.webp)
[(E)-1-nitroethylideneamino] benzoate
TL;DR: [(E)-1-nitroethylideneamino] benzoate (CAS 10603-11-9) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-1-nitroethylideneamino] benzoate
Also Known As: [(E)-1-nitroethylideneamino] benzoate|{[(E)-(1-Nitroethylidene)amino]oxy}(phenyl)methanone|NSC126892
Technical Specifications
| Molecular Formula | C9H8N2O4 |
| Molecular Weight | 208.0484 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0484 Da |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
| SMILES | C/C(=N\OC(=O)C1=CC=CC=C1)/[N+](=O)[O-] |
| InChIKey | XNJROTAHMAEYJG-JXMROGBWSA-N |
Chemical Property Profile of [(E)-1-nitroethylideneamino] benzoate
Property Insights of [(E)-1-nitroethylideneamino] benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-1-nitroethylideneamino] benzoate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-1-nitroethylideneamino] benzoate. Following Lipinski's Rule of Five, [(E)-1-nitroethylideneamino] benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [(E)-1-nitroethylideneamino] benzoate?
The CAS number of [(E)-1-nitroethylideneamino] benzoate is 10603-11-9.
What is the molecular formula of [(E)-1-nitroethylideneamino] benzoate?
The molecular formula of [(E)-1-nitroethylideneamino] benzoate is C9H8N2O4.
What is the molecular weight of [(E)-1-nitroethylideneamino] benzoate?
The molecular weight of [(E)-1-nitroethylideneamino] benzoate is 208.0484 g/mol.
Where can I buy [(E)-1-nitroethylideneamino] benzoate?
You can request a quote for [(E)-1-nitroethylideneamino] benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(E)-1-nitroethylideneamino] benzoate?
Yes, CoreyChem provides custom synthesis services for [(E)-1-nitroethylideneamino] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.