| CAS Number | 1260812-04-1 |
| Catalog Number | AG01FR4N(AGN-PC-3H5PGA) |
| Chemical Name | 5-Iodobenzo[d]isoxazol-3-amine |
| IUPAC Name | 5-iodo-1,2-benzoxazol-3-amine |
| InChI | InChI=1S/C7H5IN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10) |
| InChI Key | UTKXIZWSPRFZFM-UHFFFAOYSA-N |
| MDL Number | MFCD11847106 |
| Molecular Formula | C7H5IN2O |
| Molecular Weight | 260.0319 |
| SMILES | Ic1ccc2c(c1)c(N)no2 |
| Synonyms | 5-iodobenzo[d]isoxazol-3-amine,
1260812-04-1,
SCHEMBL18683348,
5-Iodobenzo[d]isoxazole-3-amine,
ZINC228971002,
FCH1406421,
SC-32139,
AX8277244,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.94466g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.03g/mol |
| Monoisotopic Mass | 259.94466g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number