Compound Summary
667463-62-9
Compound Information
667463-62-9
Compound Name: | 667463-62-9 |
Compound CID: | 448949 |
Synonyms: | 667463-62-9 |
Iupac Name: | 6-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol |
InChI: | InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18-19,21H |
InChIKey: | SAQUSDSPQYQNBG-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC(=C4)Br)O)N=O |
Isomeric Smiles: | C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC(=C4)Br)O)N=O |
Molecular Weight: | 356.17 |
Molecular Formula: | C16H10BrN3O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
667463-62-9
Molecular Weight: | 356.17 |
Molecular Formula: | C16H10BrN3O2 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 22 |
Complexity: | 438 |
Synonyms
667463-62-9
Experimental Data
667463-62-9
Experimental Data Visualization
667463-62-9
Statistics Data
667463-62-9
Statistics Data Visualization
667463-62-9
