2(3H)-benzoxazolone, 3-methyl-5-nitro-
TL;DR: 2(3H)-benzoxazolone, 3-methyl-5-nitro- (CAS 101084-60-0) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-5-nitro-1,3-benzoxazol-2-one
Also Known As: 3-methyl-5-nitrobenzo[d]oxazol-2(3H)-one, 2(3H)-benzoxazolone, 3-methyl-5-nitro-, 3-methyl-5-nitro-1,3-benzoxazol-2-one, 3-methyl-5-nitro-2,3-dihydro-1,3-benzoxazol-2-one, 3-methyl-5-nitro-2(3h)-benzoxazolone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6N2O4 |
| Molecular Weight | 194.03276 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.03276 Da |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
| SMILES | CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O |
| InChIKey | NEUIGIUWAYOYAM-UHFFFAOYSA-N |
Chemical Property Profile of 2(3H)-benzoxazolone, 3-methyl-5-nitro-
Property Insights of 2(3H)-benzoxazolone, 3-methyl-5-nitro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-benzoxazolone, 3-methyl-5-nitro-. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-benzoxazolone, 3-methyl-5-nitro-. Following Lipinski's Rule of Five, 2(3H)-benzoxazolone, 3-methyl-5-nitro- 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 2(3H)-benzoxazolone, 3-methyl-5-nitro-?
The CAS number of 2(3H)-benzoxazolone, 3-methyl-5-nitro- is 101084-60-0.
What is the molecular formula of 2(3H)-benzoxazolone, 3-methyl-5-nitro-?
The molecular formula of 2(3H)-benzoxazolone, 3-methyl-5-nitro- is C8H6N2O4.
What is the molecular weight of 2(3H)-benzoxazolone, 3-methyl-5-nitro-?
The molecular weight of 2(3H)-benzoxazolone, 3-methyl-5-nitro- is 194.03276 g/mol.
Where can I buy 2(3H)-benzoxazolone, 3-methyl-5-nitro-?
You can request a quote for 2(3H)-benzoxazolone, 3-methyl-5-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2(3H)-benzoxazolone, 3-methyl-5-nitro-?
Yes, CoreyChem provides custom synthesis services for 2(3H)-benzoxazolone, 3-methyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.