| CAS Number | 954371-46-1 |
| Catalog Number | AG01FS9L(AGN-PC-3H601B) |
| Chemical Name | 5-Iodobenzo[d]isoxazole |
| IUPAC Name | 5-iodo-1,2-benzoxazole |
| InChI | InChI=1S/C7H4INO/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H |
| InChI Key | VWSFRLVYRYSUGB-UHFFFAOYSA-N |
| MDL Number | MFCD13191807 |
| Molecular Formula | C7H4INO |
| Molecular Weight | 245.0172 |
| SMILES | IC1=CC=C(ON=C2)C2=C1 |
| Synonyms | 5-Iodobenzo[d]isoxazole,
954371-46-1,
1,2-Benzisoxazole, 5-iodo-,
SCHEMBL10177211,
ZINC138558382,
AK00739688,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.93376g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.02g/mol |
| Monoisotopic Mass | 244.93376g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number