Compound Summary
ns 2028
Compound Information
ns 2028
Compound Name: | ns 2028 |
Compound CID: | 4551 |
Synonyms: | ns 2028 |
Iupac Name: | 8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one |
InChI: | InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2 |
InChIKey: | MUDRLQRJCGJJTB-UHFFFAOYSA-N |
Canonical Smiles: | C1C2=NOC(=O)N2C3=C(O1)C=CC(=C3)Br |
Isomeric Smiles: | C1C2=NOC(=O)N2C3=C(O1)C=CC(=C3)Br |
Molecular Weight: | 269.05 |
Molecular Formula: | C9H5BrN2O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ns 2028
Molecular Weight: | 269.05 |
Molecular Formula: | C9H5BrN2O3 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 15 |
Complexity: | 333 |
Synonyms
ns 2028
Experimental Data
ns 2028
Experimental Data Visualization
ns 2028
Statistics Data
ns 2028
Statistics Data Visualization
ns 2028
