| CAS Number | 2070018-30-1 |
| Catalog Number | AG01EOFN(AGN-PC-3H46D0) |
| Chemical Name | IDO-IN-3 |
| IUPAC Name | 4-(2-aminoethylamino)-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide |
| InChI | InChI=1S/C11H12BrFN6O2/c12-7-5-6(1-2-8(7)13)16-11(17-20)9-10(15-4-3-14)19-21-18-9/h1-2,5,20H,3-4,14H2,(H,15,19)(H,16,17) |
| InChI Key | DAPNMIADTFAXEG-UHFFFAOYSA-N |
| MDL Number | MFCD29472227 |
| Molecular Formula | C11H12BrFN6O2 |
| Molecular Weight | 359.1544 |
| SMILES | BrC1=C(F)C=CC(/N=C(C2=NON=C2NCCN)/NO)=C1 |
| Synonyms | IDO-IN-3,
2070018-30-1,
CHEMBL4099627,
SCHEMBL20090679,
AKOS032945031,
ZINC253387859,
CS-4600,
HY-16987,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.159g/mol |
| Monoisotopic Mass | 358.019g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number